<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-02-27T13:34:02.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="9.43950018"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <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="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <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 a81" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a65" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a81" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a73" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a7 a49" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a8 a67" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a10 a68" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a81" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a71" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a20 a58" order="S"/>
                  <bond atomRefs2="a20 a61" order="S"/>
                  <bond atomRefs2="a20 a78" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a24 a80" order="S"/>
                  <bond atomRefs2="a24 a73" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a70" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a56" order="S"/>
                  <bond atomRefs2="a25 a59" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a48" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a47" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a60" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a47" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a31 a75" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a54" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a63" order="S"/>
                  <bond atomRefs2="a34 a68" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a66" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a80" order="S"/>
                  <bond atomRefs2="a37 a74" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a57" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
                  <bond atomRefs2="a41 a50" 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="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="9.43950016"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <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="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <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 a81" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a65" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a81" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a73" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a6 a71" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a7 a49" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a8 a67" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a10 a68" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a81" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a71" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a20 a58" order="S"/>
                  <bond atomRefs2="a20 a61" order="S"/>
                  <bond atomRefs2="a20 a78" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a24 a80" order="S"/>
                  <bond atomRefs2="a24 a73" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a70" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a56" order="S"/>
                  <bond atomRefs2="a25 a59" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a48" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a47" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a60" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a47" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a31 a75" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a54" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a63" order="S"/>
                  <bond atomRefs2="a34 a68" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a66" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a80" order="S"/>
                  <bond atomRefs2="a37 a74" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a57" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
                  <bond atomRefs2="a41 a50" 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="728">-19.9980 -18.7082 -18.3991 -18.3114 -18.2547 -18.0805 -17.9926 -17.9781 -17.9107 -17.8312 -17.8099 -17.7800 -17.7231 -17.7004 -17.6558 -17.6280 -17.6067 -17.5814 -17.5552 -17.5304 -17.5036 -17.4686 -17.4585 -17.4359 -17.4091 -17.3712 -17.3203 -17.2844 -17.2420 -17.1825 -17.1754 -17.1466 -17.1190 -17.0952 -17.0310 -17.0130 -16.9595 -16.9510 -16.8803 -16.8177 -7.5356 -6.7860 -6.6967 -6.6798 -6.6066 -6.2695 -6.2583 -6.2125 -6.1987 -6.1820 -6.1478 -6.1158 -6.1042 -6.0812 -6.0470 -6.0268 -6.0212 -5.9699 -5.9367 -5.9246 -5.8795 -5.8634 -5.8156 -5.7836 -5.7680 -5.7450 -5.7225 -5.7139 -5.6581 -5.6431 -5.6003 -5.5933 -5.5773 -5.5486 -5.5251 -5.5072 -5.4937 -5.4830 -5.4720 -5.4367 -5.4192 -5.3903 -5.3616 -5.3225 -5.2994 -5.2726 -5.2394 -5.2183 -5.2036 -5.1809 -5.1458 -5.1341 -5.1192 -5.0851 -5.0616 -5.0292 -5.0071 -4.9700 -4.9568 -4.9431 -4.9222 -4.9048 -4.8878 -4.8596 -4.8339 -4.8041 -4.7886 -4.7742 -4.7519 -4.7279 -4.6633 -4.6309 -4.5896 -4.5606 -4.5409 -4.5195 -4.4822 -4.4638 -4.4202 -4.3878 -4.3548 -4.3337 -4.2897 -4.2707 -4.2547 -4.2272 -4.2154 -4.1752 -4.1647 -4.1271 -4.1163 -4.0751 -4.0445 -4.0040 -3.9905 -3.9830 -3.9433 -3.9106 -3.8889 -3.8715 -3.8544 -3.8140 -3.8088 -3.7937 -3.7670 -3.7296 -3.7060 -3.6820 -3.6362 -3.6094 -3.5941 -3.5736 -3.5418 -3.4979 -3.4718 -3.4426 -3.4129 -3.3894 -3.3790 -3.3219 -3.3143 -3.2885 -3.2537 -3.2201 -3.1835 -3.1696 -3.1241 -3.1054 -3.0906 -3.0413 -2.9876 -2.9560 -2.9244 -2.9057 -2.8581 -2.8131 -2.7766 -2.7433 -2.7121 -2.6673 -2.6526 -2.6299 -2.5866 -2.5599 -2.5363 -2.4916 -2.3922 -2.3671 -2.3413 -2.2892 -2.2478 -2.2387 -2.1945 -2.1619 -2.1314 -2.0855 -2.0239 -1.9996 -1.9450 -1.9064 -1.8581 -1.8247 -1.7861 -1.7421 -1.6924 -1.6188 -1.5911 -1.5349 -1.5107 -1.4670 -1.4262 -1.4039 -1.3833 -1.3552 -1.3374 -1.2991 -1.2661 -1.2409 -1.2192 -1.1979 -1.1806 -1.1569 -1.1351 -1.1259 -1.1082 -1.0801 -1.0743 -1.0577 -1.0421 -1.0210 -1.0037 -0.9965 -0.9835 -0.9723 -0.9517 -0.9423 -0.9390 -0.9234 -0.8999 -0.8871 -0.8787 -0.8614 -0.8572 -0.8369 -0.8288 -0.8143 -0.7978 -0.7862 -0.7785 -0.7588 -0.7446 -0.7260 -0.7119 -0.6956 -0.6846 -0.6705 -0.6439 -0.6229 -0.6155 -0.6051 -0.5908 -0.5803 -0.5661 -0.5511 -0.5216 -0.5107 -0.4964 -0.4813 -0.4694 -0.4468 -0.4290 -0.3714 -0.3451 -0.3154 -0.2957 -0.2504 -0.2246 -0.2052 -0.1969 -0.1794 -0.1154 -0.1036 -0.0451 -0.0229 -0.0119 0.0514 0.0761 0.1095 0.1375 0.1680 0.2190 0.2491 0.2694 0.3061 0.3316 0.3440 0.3854 0.4119 0.4759 0.5463 0.6104 0.7533 0.8561 0.8917 0.9218 1.1849 1.2641 1.3377 1.5466 2.0545 2.3532 2.6374 3.5349 3.7237 3.8743 4.0325 4.3546 4.4888 4.6625 4.7884 4.9128 4.9859 5.0723 5.1530 5.4629 5.4990 5.5535 5.6333 5.7030 5.7537 5.8453 5.8961 5.9530 5.9791 6.0200 6.0940 6.1629 6.2388 6.2815 6.3170 6.4308 6.4608 6.6784 6.7452 6.7858 6.8703 6.9095 6.9628 7.0218 7.0841 7.1102 7.1951 7.2946 7.3518 7.4509 7.4953 7.5664 7.6711 7.7162 7.7496 7.8521 7.8926 7.9616 8.1110 -19.9980 -18.7080 -18.4007 -18.3056 -18.2626 -18.0791 -17.9794 -17.9733 -17.9209 -17.8426 -17.8104 -17.7862 -17.7199 -17.6783 -17.6644 -17.6258 -17.6089 -17.5828 -17.5545 -17.5417 -17.5047 -17.4621 -17.4570 -17.4348 -17.4078 -17.3663 -17.3207 -17.2965 -17.2388 -17.1933 -17.1545 -17.1387 -17.1359 -17.0907 -17.0362 -17.0107 -16.9603 -16.9503 -16.8802 -16.8177 -7.5356 -6.7895 -6.6899 -6.6826 -6.6067 -6.2905 -6.2398 -6.2148 -6.2043 -6.1795 -6.1407 -6.1163 -6.0873 -6.0658 -6.0570 -6.0334 -6.0160 -5.9896 -5.9344 -5.9188 -5.8876 -5.8445 -5.8063 -5.7809 -5.7691 -5.7468 -5.7290 -5.6955 -5.6787 -5.6629 -5.6230 -5.5965 -5.5689 -5.5467 -5.5308 -5.5143 -5.4877 -5.4782 -5.4467 -5.4351 -5.4208 -5.3924 -5.3674 -5.3377 -5.3160 -5.2789 -5.2675 -5.2182 -5.1906 -5.1763 -5.1604 -5.1356 -5.1029 -5.0857 -5.0490 -5.0294 -4.9990 -4.9798 -4.9651 -4.9414 -4.9165 -4.8929 -4.8656 -4.8506 -4.8309 -4.8195 -4.8004 -4.7525 -4.7186 -4.6909 -4.6632 -4.6350 -4.6217 -4.5831 -4.5449 -4.5189 -4.4711 -4.4432 -4.4195 -4.3984 -4.3570 -4.3350 -4.3044 -4.2764 -4.2669 -4.2283 -4.2050 -4.1644 -4.1511 -4.1384 -4.0999 -4.0861 -4.0390 -4.0151 -3.9935 -3.9594 -3.9478 -3.9333 -3.9116 -3.8720 -3.8516 -3.8354 -3.7915 -3.7581 -3.7385 -3.7213 -3.7019 -3.6617 -3.6492 -3.6189 -3.6052 -3.5765 -3.5596 -3.5325 -3.5013 -3.4623 -3.4364 -3.4136 -3.3594 -3.3275 -3.2913 -3.2717 -3.2323 -3.2203 -3.1799 -3.1553 -3.1233 -3.0854 -3.0657 -3.0062 -2.9968 -2.9670 -2.9321 -2.8943 -2.8686 -2.8295 -2.8115 -2.7462 -2.7061 -2.6950 -2.6600 -2.6321 -2.6030 -2.5596 -2.5149 -2.4624 -2.4229 -2.3791 -2.3043 -2.2974 -2.2705 -2.2298 -2.1833 -2.1439 -2.1258 -2.0841 -2.0288 -1.9900 -1.9727 -1.9217 -1.8483 -1.8129 -1.7908 -1.7288 -1.6846 -1.6253 -1.5840 -1.5399 -1.4861 -1.4724 -1.4384 -1.4072 -1.3725 -1.3465 -1.3335 -1.3062 -1.2673 -1.2542 -1.2155 -1.1992 -1.1903 -1.1773 -1.1242 -1.1062 -1.0953 -1.0809 -1.0686 -1.0566 -1.0498 -1.0253 -1.0112 -1.0051 -0.9910 -0.9692 -0.9569 -0.9321 -0.9264 -0.9180 -0.9094 -0.8910 -0.8723 -0.8623 -0.8480 -0.8291 -0.8258 -0.8158 -0.8034 -0.7857 -0.7747 -0.7519 -0.7465 -0.7274 -0.7139 -0.7005 -0.6895 -0.6803 -0.6496 -0.6292 -0.6146 -0.5887 -0.5784 -0.5573 -0.5398 -0.5353 -0.5252 -0.5114 -0.4986 -0.4857 -0.4726 -0.4565 -0.4388 -0.3606 -0.3477 -0.3324 -0.3035 -0.2745 -0.2392 -0.2222 -0.2042 -0.1766 -0.1241 -0.0755 -0.0598 -0.0411 -0.0059 0.0412 0.0831 0.1080 0.1616 0.1643 0.2103 0.2551 0.2779 0.3103 0.3254 0.3419 0.3882 0.4092 0.4761 0.5409 0.6134 0.7541 0.8534 0.9007 0.9282 1.1832 1.2637 1.3384 1.5513 2.0521 2.3538 2.6365 3.5479 3.7232 3.8573 4.0438 4.3451 4.4944 4.6599 4.8255 4.9048 4.9601 5.0351 5.1372 5.4695 5.5311 5.5774 5.6408 5.6717 5.7738 5.8495 5.8927 5.9586 5.9994 6.0489 6.1138 6.1564 6.1847 6.3205 6.3380 6.3814 6.5393 6.6144 6.6913 6.7834 6.8016 6.8764 6.9733 7.0195 7.0871 7.1120 7.2303 7.2871 7.3196 7.4353 7.5069 7.5943 7.6229 7.7289 7.8243 7.8602 7.9123 7.9795 8.0925</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99993 0.00026 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99991 0.00052 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.9952 -18.6117 -18.3197 -18.2178 -18.1647 -18.0013 -17.9000 -17.8781 -17.7959 -17.7685 -17.6931 -17.6456 -17.6272 -17.6099 -17.5512 -17.5320 -17.4783 -17.4628 -17.4596 -17.4104 -17.3885 -17.3470 -17.3250 -17.3109 -17.2756 -17.2335 -17.2041 -17.1573 -17.0829 -17.0648 -17.0463 -17.0211 -16.9779 -16.9225 -16.9008 -16.8741 -16.8595 -16.8388 -16.7561 -16.7098 -7.5584 -6.7320 -6.6502 -6.6364 -6.5576 -6.2252 -6.2039 -6.1849 -6.1362 -6.1273 -6.0937 -6.0763 -6.0578 -6.0328 -6.0165 -5.9962 -5.9796 -5.9274 -5.8895 -5.8853 -5.8332 -5.8057 -5.7668 -5.7387 -5.7145 -5.6993 -5.6698 -5.6628 -5.6067 -5.5917 -5.5519 -5.5351 -5.5297 -5.4992 -5.4809 -5.4610 -5.4475 -5.4266 -5.3974 -5.3892 -5.3681 -5.3434 -5.3106 -5.2686 -5.2414 -5.2320 -5.2013 -5.1766 -5.1534 -5.1182 -5.0905 -5.0713 -5.0593 -5.0334 -5.0034 -4.9881 -4.9389 -4.9286 -4.9064 -4.8940 -4.8619 -4.8479 -4.8357 -4.7902 -4.7760 -4.7633 -4.7321 -4.7234 -4.6750 -4.6425 -4.5858 -4.5716 -4.5254 -4.4922 -4.4543 -4.4252 -4.3728 -4.3304 -4.3083 -4.2854 -4.2410 -4.2225 -4.1987 -4.1562 -4.1302 -4.0921 -4.0709 -4.0611 -4.0222 -3.9847 -3.9702 -3.9198 -3.8899 -3.8478 -3.8308 -3.8112 -3.7775 -3.7272 -3.6921 -3.6865 -3.6683 -3.6213 -3.6152 -3.5819 -3.5560 -3.5215 -3.4815 -3.4449 -3.4380 -3.4125 -3.3625 -3.3300 -3.3071 -3.2834 -3.2547 -3.2138 -3.2028 -3.1600 -3.1356 -3.1129 -3.1031 -3.0647 -3.0425 -3.0157 -2.9851 -2.9622 -2.9382 -2.9073 -2.8745 -2.8612 -2.8193 -2.7966 -2.7396 -2.7147 -2.6739 -2.6244 -2.5812 -2.5561 -2.5197 -2.4872 -2.4804 -2.4398 -2.4113 -2.3666 -2.3387 -2.3036 -2.2598 -2.2218 -2.1991 -2.1540 -2.1146 -2.0946 -2.0523 -2.0170 -1.9685 -1.9288 -1.9013 -1.8583 -1.8128 -1.7896 -1.7171 -1.7015 -1.6327 -1.5801 -1.5393 -1.4989 -1.4240 -1.3763 -1.3314 -1.2993 -1.2495 -1.2109 -1.1796 -1.1472 -1.1154 -1.0930 -1.0579 -1.0468 -0.9976 -0.9727 -0.9504 -0.9299 -0.8962 -0.8889 -0.8440 -0.8195 -0.8002 -0.7690 -0.7588 -0.7447 -0.7208 -0.6901 -0.6750 -0.6584 -0.6456 -0.6201 -0.5994 -0.5808 -0.5722 -0.5472 -0.5221 -0.5007 -0.4844 -0.4634 -0.4524 -0.4294 -0.4008 -0.3791 -0.3626 -0.3477 -0.3349 -0.3015 -0.2815 -0.2453 -0.2273 -0.1922 -0.1839 -0.1465 -0.1319 -0.1127 -0.0890 -0.0744 -0.0544 -0.0487 -0.0343 -0.0167 0.0049 0.0123 0.0459 0.0631 0.0864 0.0971 0.1056 0.1230 0.1333 0.1695 0.1886 0.2395 0.2634 0.2734 0.2914 0.3461 0.4123 0.4548 0.5121 0.6738 0.7153 0.7853 0.8006 0.8086 0.8959 0.9028 0.9321 0.9876 1.0081 1.0679 1.1384 1.2358 1.3270 1.4468 1.4772 1.5443 1.5920 1.6296 1.7399 1.7628 1.8546 1.9129 2.0078 2.3920 2.4289 2.7398 3.5989 3.7793 3.9534 4.1612 4.4622 4.5271 4.7207 4.8407 4.9247 5.0621 5.1278 5.2097 5.4674 5.5535 5.6537 5.7355 5.7601 5.7991 5.9061 5.9432 5.9855 6.0163 6.0865 6.1592 6.2325 6.2766 6.3591 6.3931 6.4837 6.5576 6.7498 6.7729 6.8154 6.9050 6.9462 7.0122 7.0446 7.1326 7.1818 7.2662 7.3531 7.4030 7.4799 7.5188 7.6025 7.7064 7.7515 7.7898 7.8601 7.9110 7.9710 8.1554 -19.9952 -18.6106 -18.3331 -18.1881 -18.1751 -18.0129 -17.9132 -17.8484 -17.8094 -17.7590 -17.7006 -17.6510 -17.6320 -17.5993 -17.5466 -17.5266 -17.5159 -17.4596 -17.4308 -17.4135 -17.3876 -17.3487 -17.3302 -17.3067 -17.2713 -17.2311 -17.2041 -17.1697 -17.0861 -17.0527 -17.0418 -17.0290 -16.9780 -16.9181 -16.8990 -16.8896 -16.8484 -16.8394 -16.7570 -16.7101 -7.5584 -6.7367 -6.6444 -6.6372 -6.5580 -6.2443 -6.1975 -6.1722 -6.1460 -6.1281 -6.0769 -6.0667 -6.0465 -6.0365 -6.0264 -5.9973 -5.9735 -5.9413 -5.8829 -5.8695 -5.8446 -5.7866 -5.7697 -5.7485 -5.7208 -5.6905 -5.6746 -5.6408 -5.6303 -5.6154 -5.5630 -5.5405 -5.5221 -5.5020 -5.4832 -5.4533 -5.4371 -5.4175 -5.4023 -5.3845 -5.3600 -5.3533 -5.3218 -5.2952 -5.2512 -5.2347 -5.2005 -5.1726 -5.1473 -5.1202 -5.1148 -5.0802 -5.0543 -5.0349 -4.9957 -4.9706 -4.9450 -4.9255 -4.9120 -4.8787 -4.8638 -4.8451 -4.8198 -4.8063 -4.7716 -4.7438 -4.7334 -4.6886 -4.6640 -4.6237 -4.6008 -4.5747 -4.5252 -4.4962 -4.4453 -4.4363 -4.3796 -4.3555 -4.3250 -4.2910 -4.2536 -4.2179 -4.1946 -4.1779 -4.1134 -4.0836 -4.0629 -4.0314 -4.0049 -3.9894 -3.9389 -3.9126 -3.8810 -3.8542 -3.8167 -3.7882 -3.7683 -3.7477 -3.7396 -3.6969 -3.6721 -3.6396 -3.5970 -3.5602 -3.5475 -3.5181 -3.4885 -3.4663 -3.4516 -3.4076 -3.3693 -3.3503 -3.3177 -3.2721 -3.2592 -3.2287 -3.1912 -3.1742 -3.1465 -3.1280 -3.0950 -3.0715 -3.0495 -3.0038 -2.9765 -2.9559 -2.9259 -2.8853 -2.8531 -2.8482 -2.8385 -2.8053 -2.7745 -2.6985 -2.6755 -2.6280 -2.6003 -2.5647 -2.5462 -2.5015 -2.4661 -2.4392 -2.4060 -2.3807 -2.3410 -2.2876 -2.2697 -2.2103 -2.1718 -2.1535 -2.1296 -2.0764 -2.0573 -1.9998 -1.9742 -1.9485 -1.8950 -1.8300 -1.8163 -1.7762 -1.7157 -1.6820 -1.6428 -1.5761 -1.5606 -1.4818 -1.4283 -1.3608 -1.3353 -1.3076 -1.2435 -1.2041 -1.1807 -1.1423 -1.1152 -1.0903 -1.0503 -1.0244 -1.0109 -0.9760 -0.9368 -0.9223 -0.9148 -0.8887 -0.8645 -0.8471 -0.7823 -0.7702 -0.7534 -0.7436 -0.7145 -0.7006 -0.6677 -0.6594 -0.6494 -0.6365 -0.6172 -0.5892 -0.5639 -0.5503 -0.5341 -0.5064 -0.4847 -0.4758 -0.4372 -0.4285 -0.4017 -0.3830 -0.3581 -0.3449 -0.3156 -0.3117 -0.2892 -0.2447 -0.2132 -0.1942 -0.1701 -0.1500 -0.1342 -0.1105 -0.0947 -0.0733 -0.0611 -0.0536 -0.0410 -0.0229 0.0080 0.0211 0.0542 0.0673 0.0782 0.0980 0.1191 0.1260 0.1613 0.1710 0.1983 0.2465 0.2590 0.2676 0.2856 0.3427 0.4080 0.4428 0.5074 0.6673 0.7042 0.7892 0.8040 0.8089 0.8883 0.9050 0.9228 0.9830 1.0090 1.0744 1.1451 1.2346 1.3247 1.4527 1.4767 1.5342 1.5911 1.6285 1.7363 1.7629 1.8572 1.9079 2.0312 2.3927 2.4272 2.7403 3.6094 3.7804 3.9389 4.1526 4.4871 4.5301 4.7223 4.8839 4.9187 5.0085 5.0963 5.1845 5.4721 5.5814 5.6604 5.7070 5.7357 5.8368 5.9007 5.9535 6.0078 6.0889 6.1046 6.1680 6.2278 6.2855 6.3286 6.4127 6.4709 6.6126 6.6587 6.7387 6.8185 6.8389 6.9172 7.0222 7.0485 7.1366 7.1531 7.2862 7.3112 7.3739 7.4964 7.5655 7.6209 7.6776 7.7539 7.8104 7.8716 7.9344 8.0189 8.1264</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.93784 0.67542 0.45546 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.89645 0.58553 0.44867 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="70"
                          units="nonsi2:ev.angstrom-1">0.092529 0.020969 1.020127 0.052785 0.025029 -0.235057 -0.137549 0.049391 0.196543 -0.044257 0.193526 -1.331573 0.024894 -0.127941 0.203941 0.033049 0.180851 -0.221200 0.065475 -0.133793 -0.237752 -0.051966 -0.202499 0.089625 -0.044263 -0.041978 0.271675 -0.186563 -0.104523 -0.268138 0.017647 -0.025038 -0.333540 -0.324768 0.053580 -0.688794 0.338114 1.759796 -1.251306 -0.043863 -0.350680 -0.142900 -0.164270 -0.002641 -0.255007 -1.558537 0.028942 -1.305645 -0.168692 -0.056596 -0.548842 0.138870 0.233854 -0.112000 0.177024 -1.768959 -1.093304 0.156935 -0.025886 -0.766668 0.053719 0.018766 0.278644 -0.062346 -0.030996 -0.964983 0.003776 -0.097930 0.014196 -0.007251 0.091500 0.064435 0.042260 0.095037 -0.723393 0.015867 0.100296 -0.208032 0.036725 0.106407 -0.212557 0.004925 -0.081623 0.093313 -0.028214 -0.136064 0.062629 -0.003802 0.146842 -0.064284 0.061531 -0.121119 0.153033 -0.041048 0.060283 -0.194455 0.015338 0.008157 -0.114869 1.801776 0.140258 -0.567388 0.181275 -0.002389 -0.376444 0.089416 -0.013249 -0.205093 -0.094733 0.073242 -0.117980 -0.029679 -0.063528 -0.227142 -0.116107 0.053601 -0.294076 -0.180316 0.085151 -0.255856 0.106387 -0.149532 0.016381 0.604592 -0.217390 0.256147 0.588523 0.483577 -0.313131 -0.237386 0.389896 -0.338981 0.590687 -0.157346 0.435343 0.169953 0.102949 -0.345287 0.020042 0.587658 -0.125267 -0.345921 -0.409426 0.945403 -0.305527 -0.136513 0.194028 -0.855347 0.548294 -0.000893 0.234198 0.024663 0.328317 -0.519000 -0.047951 0.736435 -0.658716 -0.003385 0.327320 0.237199 0.045608 0.094104 -0.573181 -0.957542 0.588911 -0.180047 -0.291791 -0.346879 -0.017031 0.150704 0.444747 0.353073 -0.428692 0.944341 0.360266 0.104777 -0.153424 0.867214 0.032251 -0.089573 -0.078543 0.027458 0.953302 0.027316 0.215001 0.024372 -0.345642 -0.432715 0.113882 -0.043904 -0.352707 0.523469 -0.138651 -0.045350 0.021674 0.010556 -0.118116 -0.280021 0.465073 -0.549164 0.481540 -0.345660 0.406653 0.368980 0.065321 0.154573 -0.276364 -0.131100 -0.412889 0.358136 0.341277 -0.026367 0.616388 -0.012124 0.066598 -0.264123 0.308474 -0.018265 0.737872 0.062858 -0.041064 0.862726 0.013721 0.925648 0.623272 -0.013757 0.297749 -0.250952 -0.418297 -0.178102 0.490885 0.365018 0.425161 0.921317 -0.070454 -0.107211 -0.253099 0.128142 -0.010108 0.208223 -0.745311 -0.035646 1.290594 0.072450 0.015300 0.107451 0.002898 0.009045 0.077037 -0.127339 0.037201 0.237709 0.042087 -0.000222 -0.412910 -0.005163 -0.111331 0.149075 -0.035906 -0.090937 -0.204065 -0.003196 -0.120472 -0.171122 0.080779 0.073000 -0.004160 -0.029466 -0.018894 0.229009 0.050647 -0.002292 -0.149076 0.081440 -0.034855 0.106138 -0.047290 0.200107 -0.090792 0.058862 0.571419 -0.538348 -0.061455 0.001096 -0.095222 -0.114347 -0.012130 -0.147420 -0.382200 0.006154 -0.521607 -0.011135 -0.216114 -0.282139 -0.044140 0.046789 0.008727 0.005836 -0.552633 -0.567440 -0.071672 -0.012699 -0.317744 0.042050 -0.002263 0.293730 -0.067069 -0.022377 -0.981065 0.012511 -0.086115 0.005826 -0.086035 0.012802 0.046240 0.039598 0.084308 -0.774157 -0.077060 0.056376 -0.093355 -0.005320 0.100451 -0.262295 0.079945 0.123750 0.082386 -0.073351 -0.041506 -0.034301 0.106728 0.013471 -0.112013 0.023900 -0.046719 -0.020123 -0.044042 0.037026 -0.213155 0.013243 -0.014488 -0.144022 0.619505 0.027870 -0.401548 0.145407 0.010943 -0.360187 0.091896 0.010305 -0.211699 0.039717 -0.100947 0.024527 0.005715 -0.025388 -0.316679 -0.073930 0.024533 -0.273918 -0.144101 0.085810 -0.107427 0.052713 -0.055870 0.017326 0.580791 -0.021323 0.133282 0.441417 0.097622 -0.061812 -0.033280 0.371337 -0.215232 0.317146 -0.117013 0.034895 0.149383 0.105536 -0.283820 0.016462 0.251492 0.006638 -0.125824 -0.157659 0.476173 -0.290098 -0.129120 0.197827 -0.306139 0.132926 -0.067878 -0.015168 -0.020879 0.081885 -0.498840 -0.033288 0.855456 -0.469217 -0.044087 0.128147 0.024821 -0.001526 0.210442 -0.313177 -0.576588 -0.004226 -0.149928 -0.298822 -0.323779 -0.019613 -0.004548 0.323620 0.108305 -0.014627 0.387026 0.349323 0.144758 -0.151086 0.331995 -0.026757 -0.123440 -0.022918 -0.016295 0.673307 -0.094228 0.026335 0.075639 -0.086482 -0.071475 0.050449 -0.000845 -0.319819 0.461627 0.019694 0.059293 0.071768 -0.090453 -0.133936 -0.272336 0.110797 -0.262314 0.156612 -0.126715 0.153415 0.176454 0.076576 0.134753 -0.299425 -0.040223 -0.040924 0.289841 0.105774 -0.000936 0.377590 0.091003 0.058924 -0.083146 0.065423 0.032718 0.125485 0.028728 0.004903 0.904451 -0.033994 0.581803 0.092179 0.089149 0.302533 -0.225772 -0.115548 -0.049851 0.278654 0.091599 0.016253 0.426495 -0.070419 -0.153398 -0.254884 0.035125 0.050869 0.146631 -0.294111 -0.009790 1.647070 0.059819 0.016444 0.068884 -0.027170 0.022899 0.151208 -0.126587 0.039343 0.234164 0.060477 -0.017778 -0.267744 0.001214 -0.111652 0.135896 -0.039528 -0.092731 -0.224195 -0.013011 -0.130104 -0.149369 0.133965 0.106839 -0.003662 -0.031138 -0.021992 0.212703 0.169852 0.003978 -0.106300 0.065245 -0.052282 0.185809 -0.006696 0.231373 -0.040246 0.020495 0.232476 -0.341454 -0.070506 -0.018456 -0.081753 -0.033735 0.057306 -0.099794 -0.137338 0.012952 -0.315271 0.017026 -0.248913 -0.217768 -0.063173 0.062000 0.045859 -0.020365 -0.204915 -0.334581 -0.208938 -0.020877 -0.154732 0.041985 -0.005821 0.309299 -0.065336 -0.015399 -0.990351 0.022144 -0.083318 0.009862 -0.106811 0.018719 0.063989 0.041616 0.084056 -0.782587 -0.045241 0.040924 -0.073699 -0.002739 0.108373 -0.229093 0.076931 0.127947 0.103202 -0.073849 -0.032226 -0.019494 0.122059 0.015819 -0.077611 0.016777 -0.095672 -0.097766 -0.045599 0.036772 -0.203867 0.005274 -0.024780 -0.130998 0.395915 0.015300 -0.338586 0.135159 0.020233 -0.352891 0.092523 0.008624 -0.213509 0.047431 -0.059956 0.028320 0.004337 -0.008777 -0.302257 -0.069387 0.015101 -0.328345 -0.134222 0.087758 -0.094230 -0.003865 -0.049413 0.024846 0.570000 -0.021144 0.119816 0.288542 0.047377 -0.021531 -0.011861 0.369631 -0.299163 0.307701 -0.119549 0.086439 0.156946 0.099940 -0.292056 0.025118 0.241393 -0.023186 -0.078629 -0.114058 0.427003 -0.291063 -0.132585 0.200472 -0.281416 0.151294 -0.090864 -0.069170 -0.032042 0.034347 -0.479944 -0.031722 0.878177 -0.293003 -0.034994 0.046170 0.015080 -0.002941 0.165937 -0.314467 -0.390716 -0.067114 -0.160876 -0.293805 -0.330953 -0.027469 -0.003993 0.255050 0.054138 0.065593 0.289596 0.350198 0.132971 -0.143985 0.299022 0.025929 0.172116 0.009096 -0.025150 0.322676 -0.080532 0.018113 0.009061 -0.104624 -0.046477 0.059893 0.003876 -0.314791 0.457191 0.038999 0.101835 0.056680 -0.067772 -0.125747 -0.272693 0.053352 -0.252743 0.086794 -0.074692 0.100615 0.133891 0.073670 0.140011 -0.306527 -0.041913 -0.102253 0.271047 0.050676 0.006515 0.314783 0.072861 0.055810 -0.129247 0.060339 0.019050 0.037537 0.027484 -0.015917 0.923714 -0.058496 0.394765 -0.067631 0.063136 0.300700 -0.223594 -0.068109 -0.056896 0.218245 0.032833 -0.065047 0.314958 -0.067973 -0.147569 -0.259440 0.033078 -0.004709 0.130436 -0.219149 -0.006869 1.514070 0.035903 0.016551 0.096535 -0.045195 0.030387 0.319205 -0.126265 0.039747 0.232002 0.074822 -0.080134 0.193186 0.000541 -0.111294 0.143170 -0.053143 -0.175012 -0.182808 -0.031148 -0.125514 -0.129098 0.187881 0.204568 -0.020777 -0.028534 -0.023119 0.220895 0.286657 0.037136 -0.064272 0.085377 -0.071817 0.374173 0.082388 0.291606 0.198978 -0.073173 -0.287185 0.053415 -0.069867 0.069450 -0.030545 -0.000846 0.074571 0.001112 0.399838 0.009276 0.148195 0.074760 -0.311543 -0.081615 -0.104884 0.005698 0.100482 -0.083433 0.336280 0.018670 -0.306317 -0.020022 0.086075 0.042341 -0.003762 0.306382 -0.064431 -0.016347 -1.002010 0.020333 -0.068943 -0.002260 -0.126135 -0.001589 0.083015 0.041941 0.083553 -0.787607 -0.062754 0.018814 -0.014990 0.002825 0.109255 -0.229249 0.080625 0.176724 0.113360 -0.070476 -0.007170 -0.030448 0.139290 -0.020327 -0.048569 0.011884 -0.083288 -0.160097 -0.046492 0.039171 -0.201498 0.005884 -0.028458 -0.126648 -0.069972 -0.023768 -0.191444 0.126352 0.021823 -0.342223 0.091685 0.007674 -0.215523 0.067622 -0.097012 0.075302 0.000955 0.004415 -0.313125 -0.057491 0.003058 -0.335892 -0.124133 0.073589 -0.063208 -0.022567 -0.021137 0.044793 0.567636 -0.005020 0.103327 0.185278 -0.061684 0.057921 0.007926 0.364414 -0.292076 0.247055 -0.112280 -0.046465 0.157414 0.097109 -0.279854 0.029689 0.203525 -0.007568 0.027093 0.000410 0.237005 -0.288228 -0.133389 0.205401 -0.201786 0.054183 -0.124222 -0.171619 -0.052986 -0.082818 -0.470866 -0.029389 0.909413 -0.186473 -0.040558 -0.098484 -0.007339 -0.014817 0.155697 -0.261968 -0.243842 -0.324561 -0.161833 -0.292044 -0.330275 -0.034827 0.005183 0.172872 -0.062241 0.231357 0.037519 0.348406 0.136911 -0.137840 0.222006 0.041101 0.190784 0.042392 -0.053312 0.165973 -0.085786 -0.003917 0.040850 -0.051817 0.056162 -0.081170 0.011972 -0.301749 0.443565 0.081674 0.158705 0.034400 -0.068610 -0.121839 -0.267857 -0.064295 -0.226705 -0.044174 0.035856 -0.025279 0.012403 0.072610 0.140600 -0.311569 -0.047456 -0.023322 0.215156 -0.073744 0.018375 0.191846 0.078494 0.052190 -0.111584 0.006738 0.020433 -0.310908 0.019403 -0.000851 0.949554 -0.074079 0.268328 -0.368910 0.063998 0.299722 -0.218922 0.026201 -0.076337 0.112325 -0.091864 -0.226869 0.074154 -0.067900 -0.152261 -0.257809 0.034008 -0.028655 -0.046105 -0.085764 0.002489 1.197968 0.312077 0.036046 3.371701 -0.012918 -0.030364 0.181663 -0.127255 0.039887 0.233780 0.026702 -0.053364 0.111702 -0.006370 -0.112292 0.157374 -0.007332 -0.050549 0.045759 -0.036158 -0.120320 -0.135845 0.106876 0.104021 -0.030080 -0.023018 -0.025144 0.234502 0.081676 0.013519 -0.016708 -0.017309 -0.018111 0.261211 0.028485 0.050979 0.167546 -0.024629 -0.210870 0.116351 -0.021073 -0.002313 -0.095945 -0.017976 0.027752 0.046616 0.195239 0.005152 0.170588 0.032611 -0.066347 0.043379 -0.016664 -0.013473 0.039273 -0.053502 0.203173 0.063404 -0.086004 -0.014782 0.108711 0.042454 -0.004680 0.308408 -0.063074 -0.019447 -1.001865 0.014913 -0.052384 -0.004326 -0.038311 -0.014145 0.041129 0.044106 0.083578 -0.793460 -0.013896 0.024152 0.018672 0.007967 0.109065 -0.227874 0.046832 0.099791 0.063464 -0.028464 0.010643 -0.003980 0.041163 0.000109 -0.048968 -0.012360 -0.076869 -0.062291 -0.045667 0.042929 -0.197699 0.012092 -0.034231 -0.087113 -0.060426 0.002703 -0.053580 0.121983 0.025081 -0.299891 0.091740 0.009317 -0.215275 -0.006892 -0.016620 0.027857 -0.009101 0.014922 -0.277046 -0.050815 -0.003170 -0.332311 -0.122610 0.070655 -0.086983 -0.036569 -0.015361 0.042525 0.552556 0.014408 0.083823 0.092403 -0.046821 0.081181 0.032298 0.344546 -0.298143 0.183540 -0.073916 -0.003053 0.158190 0.094306 -0.278240 0.057008 0.215605 -0.008790 0.020237 0.019558 0.094893 -0.283126 -0.135407 0.207439 -0.126529 0.058327 -0.086507 -0.108032 -0.018025 -0.075747 -0.444664 -0.032416 0.948175 -0.106781 -0.010315 -0.065312 -0.027474 0.006334 0.185518 -0.203032 -0.193489 -0.106131 -0.163277 -0.287989 -0.332960 -0.043183 0.048781 0.109749 -0.070176 0.165632 -0.027418 0.347094 0.133142 -0.141377 0.198805 0.044786 0.166304 0.039385 0.016261 -0.052202 -0.071318 -0.023836 0.062793 -0.047549 0.077478 -0.132358 0.010850 -0.274571 0.460005 0.020956 0.053569 0.021245 -0.065541 -0.117447 -0.268424 -0.018918 -0.166636 -0.034474 0.027841 -0.042778 -0.086129 0.072114 0.140664 -0.341782 -0.068298 -0.054558 0.096750 0.085153 -0.002693 0.074148 0.064060 0.048241 -0.066860 0.025410 -0.009114 -0.125682 0.017016 -0.031566 0.968169 -0.034511 0.180982 -0.108340 0.061027 0.296757 -0.218394 0.009512 -0.100526 0.076320 -0.099395 -0.175314 -0.026347 -0.063509 -0.150520 -0.252898 0.062656 -0.004225 -0.089629 -0.361325 -0.025853 -2.293691 0.253645 0.031911 2.757584 -0.017121 -0.020729 0.204026 -0.127088 0.040005 0.232966 0.036457 -0.066425 0.131863 -0.005866 -0.111839 0.155294 -0.014208 -0.073301 0.008181 -0.035610 -0.120527 -0.135828 0.121480 0.121026 -0.028671 -0.023566 -0.024429 0.231875 0.112901 0.017184 -0.024231 0.001307 -0.025488 0.278718 0.036205 0.087582 0.169746 -0.031905 -0.221010 0.100998 -0.028944 0.007856 -0.085883 -0.015813 0.033521 0.038842 0.225293 0.005063 0.165174 0.039542 -0.102513 0.021904 -0.031184 -0.012870 0.048223 -0.059113 0.222563 0.053720 -0.118683 -0.017036 0.103513 0.042291 -0.005661 0.307549 -0.063412 -0.018920 -1.002229 0.015692 -0.054985 -0.004664 -0.052060 -0.013276 0.046037 0.043549 0.083651 -0.792839 -0.022021 0.024305 0.013725 0.007206 0.108863 -0.227538 0.053111 0.113402 0.072221 -0.036320 0.008258 -0.008468 0.057098 -0.003960 -0.050860 -0.009234 -0.078296 -0.077629 -0.046012 0.042522 -0.198856 0.011171 -0.033388 -0.093982 -0.061143 -0.000995 -0.075510 0.122380 0.024853 -0.307075 0.091669 0.009702 -0.215509 0.005070 -0.030202 0.034809 -0.007732 0.013310 -0.284371 -0.051857 -0.001920 -0.333027 -0.122717 0.071133 -0.083400 -0.034293 -0.015541 0.042382 0.554675 0.010800 0.086845 0.109115 -0.047470 0.075741 0.028605 0.349234 -0.294086 0.193999 -0.078209 -0.011967 0.157830 0.095778 -0.277390 0.053735 0.209947 -0.008824 0.022301 0.017918 0.120668 -0.284420 -0.134985 0.207041 -0.137813 0.054214 -0.091958 -0.117942 -0.024836 -0.073939 -0.448530 -0.032011 0.941978 -0.123041 -0.016195 -0.067546 -0.024733 0.004144 0.182139 -0.216030 -0.203732 -0.141512 -0.163004 -0.288978 -0.332395 -0.041783 0.040394 0.120574 -0.068840 0.177910 -0.013824 0.347614 0.133928 -0.140878 0.197523 0.041095 0.170052 0.039452 0.005294 -0.013350 -0.079631 -0.019639 0.064772 -0.049075 0.073635 -0.128324 0.011029 -0.280023 0.456810 0.031332 0.070603 0.024791 -0.066728 -0.119107 -0.268160 -0.024412 -0.175245 -0.037044 0.028306 -0.040495 -0.069307 0.072686 0.140901 -0.339219 -0.063604 -0.043438 0.117866 0.064167 0.001294 0.088187 0.072128 0.049178 -0.070848 0.023126 -0.004334 -0.159290 0.017177 -0.027731 0.964693 -0.042061 0.202157 -0.150600 0.061981 0.297627 -0.218513 0.012026 -0.096215 0.084366 -0.097661 -0.185799 -0.008322 -0.064879 -0.150844 -0.252874 0.056115 -0.004218 -0.081835 -0.300897 -0.015948 -1.643298 0.229055 0.030025 2.248282 -0.006925 -0.036638 0.161267 -0.127772 0.039943 0.234173 0.017571 -0.042680 0.086038 -0.008596 -0.112263 0.161587 0.001906 -0.028655 0.077892 -0.036781 -0.119375 -0.138957 0.089032 0.087047 -0.030015 -0.021385 -0.025376 0.238626 0.048821 0.007674 -0.011354 -0.028721 -0.012010 0.234512 0.017470 0.016039 0.152034 -0.015054 -0.183856 0.107208 -0.012191 -0.015772 -0.101605 -0.021407 0.018058 0.048448 0.147872 0.004640 0.155983 0.025519 -0.030635 0.055294 -0.002044 -0.016333 0.027395 -0.047624 0.166881 0.056475 -0.049026 -0.013623 0.101218 0.042272 -0.006841 0.309060 -0.063146 -0.020421 -1.001719 0.013783 -0.049470 -0.004905 -0.025376 -0.015548 0.032113 0.044275 0.083594 -0.793874 -0.007244 0.026032 0.021825 0.008845 0.109141 -0.225152 0.040401 0.087331 0.055370 -0.022153 0.011507 -0.000240 0.026549 0.002980 -0.051758 -0.015764 -0.076223 -0.044570 -0.045925 0.044005 -0.196395 0.013269 -0.035054 -0.080495 -0.043514 0.007812 -0.038347 0.121101 0.025563 -0.293551 0.091603 0.010467 -0.214662 -0.019448 -0.006680 0.019581 -0.011650 0.016925 -0.273378 -0.050313 -0.004202 -0.329899 -0.122640 0.070200 -0.091883 -0.036262 -0.015959 0.040679 0.550016 0.014955 0.080150 0.078313 -0.040860 0.080750 0.035370 0.342902 -0.294885 0.173480 -0.067167 0.005019 0.158105 0.094711 -0.276402 0.061628 0.218222 -0.011744 0.016394 0.015362 0.079839 -0.282467 -0.135765 0.207911 -0.114734 0.059631 -0.081968 -0.092465 -0.012490 -0.069793 -0.440375 -0.033038 0.954130 -0.098982 -0.004468 -0.054772 -0.030525 0.012146 0.191055 -0.187485 -0.181009 -0.063540 -0.163591 -0.287107 -0.333128 -0.044052 0.055150 0.099841 -0.070812 0.151008 -0.023816 0.346754 0.132893 -0.142304 0.194855 0.043412 0.153126 0.037816 0.023335 -0.078600 -0.079671 -0.023833 0.074602 -0.042030 0.078813 -0.143625 0.010515 -0.271495 0.462311 0.009515 0.035624 0.022463 -0.065732 -0.117556 -0.268120 -0.010353 -0.160069 -0.027838 0.022911 -0.037150 -0.095099 0.071998 0.141052 -0.351744 -0.070459 -0.051006 0.081585 0.104336 -0.005033 0.062552 0.071996 0.047612 -0.053739 0.021377 -0.015785 -0.097272 0.016262 -0.038466 0.970470 -0.028553 0.156986 -0.071829 0.060833 0.296029 -0.218295 0.005731 -0.103450 0.072069 -0.098341 -0.163290 -0.032425 -0.063134 -0.150299 -0.250632 0.066258 0.001940 -0.089280 -0.269080 -0.020696 -1.169325 0.131373 0.022629 0.876210 0.013275 -0.091301 0.034493 -0.129467 0.039378 0.237201 -0.030634 -0.001755 -0.027381 -0.016482 -0.112981 0.174788 0.049210 0.086731 0.284716 -0.040409 -0.114827 -0.152349 -0.032474 -0.027413 -0.035050 -0.015147 -0.026677 0.249754 -0.164298 -0.019091 0.028971 -0.133534 0.033689 0.104136 -0.040163 -0.211271 0.102363 0.037150 -0.064913 0.130592 0.042029 -0.085861 -0.151446 -0.037261 -0.026192 0.076121 -0.086077 -0.001866 0.137865 -0.018309 0.191046 0.152059 0.082495 -0.025797 -0.035809 -0.015177 0.003867 0.072162 0.161088 -0.004310 0.093568 0.042081 -0.008594 0.311780 -0.062450 -0.023750 -1.001083 0.006890 -0.034650 -0.007988 0.054150 -0.022909 -0.012869 0.046033 0.083689 -0.798787 0.033244 0.031881 0.043580 0.012804 0.109559 -0.218737 0.005793 0.011418 0.000201 0.022859 0.016624 0.021175 -0.061571 0.024167 -0.060432 -0.031960 -0.071207 0.057686 -0.045762 0.047527 -0.191772 0.020501 -0.040783 -0.043695 0.005246 0.036831 0.073320 0.117827 0.028992 -0.254907 0.091665 0.013742 -0.213779 -0.090346 0.064348 -0.031481 -0.021672 0.027384 -0.242423 -0.044969 -0.010617 -0.321128 -0.122785 0.070016 -0.118127 -0.039220 -0.014293 0.030845 0.535994 0.042416 0.059835 -0.026994 -0.015799 0.093079 0.065290 0.325355 -0.289197 0.115649 -0.032560 0.063311 0.157948 0.092475 -0.272977 0.091142 0.243588 -0.009782 0.003264 0.009890 -0.031964 -0.278695 -0.137527 0.208916 -0.033791 0.058400 -0.038922 -0.005525 0.024249 -0.047551 -0.417076 -0.034633 0.988968 -0.020536 0.024777 0.001243 -0.057947 0.035378 0.222389 -0.104366 -0.102923 0.149563 -0.164221 -0.285321 -0.336650 -0.053371 0.094465 0.041170 -0.068521 0.074243 -0.051844 0.346492 0.129911 -0.147859 0.194521 0.038578 0.103447 0.032081 0.069678 -0.248478 -0.071183 -0.049816 0.104563 -0.027064 0.094207 -0.197147 0.009830 -0.246156 0.477843 -0.052410 -0.067525 0.012203 -0.065188 -0.113661 -0.268593 0.036134 -0.087929 -0.002363 0.007153 -0.032300 -0.172025 0.071531 0.141318 -0.384463 -0.090984 -0.063141 -0.040457 0.226141 -0.022555 -0.031764 0.062910 0.042897 -0.006902 0.024321 -0.045258 0.071296 0.013038 -0.067130 0.987084 0.005360 0.032183 0.156561 0.059974 0.295304 -0.218235 -0.008198 -0.130594 0.039694 -0.091407 -0.099959 -0.096216 -0.059542 -0.147552 -0.245324 0.092996 0.027389 -0.103386 -0.150298 -0.016823 0.086594 0.077577 0.018039 0.323992 0.023376 -0.109966 -0.036403 -0.130384 0.039020 0.239338 -0.055956 0.022782 -0.081195 -0.020132 -0.113636 0.181744 0.074404 0.147534 0.381034 -0.042448 -0.113734 -0.157569 -0.098315 -0.091210 -0.038629 -0.011468 -0.027869 0.256453 -0.266827 -0.032265 0.049225 -0.188001 0.054811 0.035129 -0.067095 -0.314779 0.083697 0.060783 -0.011484 0.147706 0.069352 -0.117200 -0.173811 -0.043042 -0.045417 0.088846 -0.192298 -0.003486 0.132361 -0.038086 0.292673 0.197356 0.119902 -0.029742 -0.065593 -0.001515 -0.068545 0.083952 0.253764 0.001360 0.093348 0.042246 -0.010358 0.314426 -0.062115 -0.025583 -1.000543 0.004047 -0.028091 -0.009022 0.089568 -0.026252 -0.035903 0.046840 0.083618 -0.800510 0.051587 0.033549 0.052814 0.015221 0.110207 -0.213279 -0.010436 -0.024784 -0.029927 0.044488 0.019017 0.029462 -0.102223 0.033870 -0.066573 -0.038547 -0.067723 0.105609 -0.045827 0.048989 -0.188848 0.023497 -0.043797 -0.027489 0.028043 0.051048 0.125326 0.116483 0.030459 -0.237424 0.091698 0.015428 -0.212864 -0.124834 0.096588 -0.058994 -0.026297 0.031910 -0.227790 -0.042534 -0.013977 -0.316616 -0.122970 0.069966 -0.130353 -0.041381 -0.014694 0.026203 0.530103 0.054517 0.050268 -0.078859 -0.003662 0.095151 0.077917 0.316949 -0.288986 0.090704 -0.015568 0.091636 0.157911 0.091805 -0.269940 0.104625 0.256944 -0.006758 -0.001805 0.007542 -0.079555 -0.277775 -0.138332 0.209672 0.007227 0.065615 -0.020932 0.036162 0.039520 -0.040578 -0.406885 -0.035612 1.004499 0.021377 0.033861 0.025805 -0.070506 0.046152 0.235318 -0.065168 -0.066769 0.246917 -0.164256 -0.284803 -0.337534 -0.057027 0.117731 0.020441 -0.067261 0.033857 -0.062979 0.347312 0.128908 -0.149940 0.195487 0.039276 0.073644 0.035762 0.092452 -0.320056 -0.070798 -0.061835 0.118563 -0.017760 0.099348 -0.220097 0.009403 -0.234366 0.484928 -0.080112 -0.114345 0.006360 -0.064835 -0.112556 -0.268256 0.057265 -0.062252 0.006460 -0.000679 -0.028919 -0.208198 0.070774 0.141263 -0.400217 -0.098056 -0.073970 -0.096811 0.276477 -0.030293 -0.078506 0.062496 0.040510 0.014184 0.023684 -0.058546 0.147608 0.011486 -0.079899 0.994576 0.022065 -0.028795 0.263863 0.059580 0.294872 -0.217624 -0.017756 -0.142373 0.025305 -0.087871 -0.068398 -0.126161 -0.057736 -0.146650 -0.241405 0.105742 0.035840 -0.106791 -0.078561 -0.015294 0.587441 0.071847 0.016318 0.301364 0.015050 -0.106206 -0.039191 -0.130797 0.038821 0.239735 -0.061543 0.025687 -0.080555 -0.020719 -0.113822 0.183043 0.074123 0.134203 0.346038 -0.042983 -0.113514 -0.160655 -0.095413 -0.078977 -0.028066 -0.010469 -0.027985 0.258587 -0.248053 -0.029991 0.044463 -0.171096 0.052200 0.022326 -0.063281 -0.284322 0.073602 0.054387 -0.010576 0.142029 0.062725 -0.105712 -0.144933 -0.035337 -0.046874 0.076967 -0.164122 -0.007315 0.124166 -0.036082 0.265287 0.177250 0.113482 -0.021081 -0.058208 -0.002236 -0.058304 0.083996 0.232523 0.002845 0.079104 0.042466 -0.010068 0.315171 -0.062152 -0.026055 -1.001497 0.004790 -0.025726 -0.010813 0.084556 -0.022348 -0.033482 0.047191 0.083816 -0.800701 0.048803 0.034143 0.048129 0.016975 0.110699 -0.209531 -0.014455 -0.026737 -0.025424 0.048636 0.010674 0.029443 -0.096153 0.031585 -0.064075 -0.040109 -0.065317 0.105095 -0.046113 0.049780 -0.188047 0.023499 -0.044136 -0.023572 0.021013 0.045818 0.114342 0.115279 0.030382 -0.236559 0.091825 0.015606 -0.212341 -0.120420 0.095105 -0.053301 -0.028604 0.034251 -0.231972 -0.043100 -0.015034 -0.314130 -0.122023 0.069302 -0.129742 -0.035486 -0.015859 0.021204 0.527428 0.058222 0.044941 -0.082557 -0.014466 0.089545 0.081226 0.315248 -0.291117 0.073576 -0.011964 0.094145 0.157747 0.091577 -0.270883 0.099752 0.252530 -0.005322 -0.001257 -0.007018 -0.079292 -0.277058 -0.138481 0.209002 0.006059 0.056467 -0.017031 0.031664 0.032080 -0.029843 -0.402323 -0.035255 1.007890 0.037425 0.028758 0.029976 -0.073726 0.050830 0.236169 -0.061552 -0.054303 0.252136 -0.164568 -0.283845 -0.339255 -0.057288 0.117497 0.018399 -0.062476 0.023018 -0.057132 0.346998 0.128580 -0.151388 0.185232 0.036634 0.067158 0.031736 0.074421 -0.310724 -0.073728 -0.064380 0.124676 -0.009652 0.099724 -0.198701 0.011391 -0.231535 0.482317 -0.076083 -0.105876 0.010512 -0.064347 -0.111857 -0.268729 0.047845 -0.071215 0.007974 -0.001010 -0.008568 -0.193323 0.070152 0.141705 -0.403403 -0.095210 -0.065395 -0.089414 0.238020 -0.026550 -0.069997 0.065177 0.039351 0.019975 0.024271 -0.057422 0.155181 0.009466 -0.083310 0.995961 0.024817 -0.036129 0.258301 0.058957 0.294336 -0.218513 -0.009870 -0.142598 0.020180 -0.076545 -0.054165 -0.117367 -0.057176 -0.145639 -0.241257 0.105494 0.035942 -0.100305 -0.066432 -0.017510 0.589294 0.052067 0.011030 0.226947 -0.010012 -0.095607 -0.050760 -0.131945 0.038237 0.242626 -0.077590 0.033034 -0.079492 -0.023038 -0.114534 0.188301 0.069872 0.092518 0.242114 -0.045344 -0.113315 -0.168338 -0.077109 -0.040554 -0.008214 -0.006219 -0.028935 0.267360 -0.186765 -0.023001 0.032935 -0.105877 0.036454 -0.024107 -0.050951 -0.196045 0.042403 0.035939 -0.009173 0.126661 0.044195 -0.074913 -0.060503 -0.012489 -0.051585 0.041381 -0.076162 -0.016740 0.105290 -0.034283 0.183321 0.119661 0.094518 0.002161 -0.036067 -0.005455 -0.029434 0.085393 0.169273 0.010039 0.036332 0.042603 -0.010398 0.317944 -0.062619 -0.027535 -1.003204 0.007241 -0.019860 -0.013904 0.068447 -0.011504 -0.029209 0.047699 0.083967 -0.800595 0.041755 0.036863 0.033926 0.022637 0.111994 -0.193809 -0.026869 -0.036787 -0.013535 0.060119 -0.014299 0.027089 -0.078819 0.024391 -0.057454 -0.045132 -0.057077 0.105284 -0.046773 0.051578 -0.185303 0.023305 -0.046145 -0.010453 0.000621 0.031280 0.084468 0.111343 0.030307 -0.232823 0.092035 0.016627 -0.209732 -0.111471 0.090086 -0.036640 -0.035895 0.040253 -0.242937 -0.045337 -0.017967 -0.305814 -0.119199 0.067419 -0.126637 -0.017632 -0.020492 0.004889 0.519706 0.063962 0.027957 -0.099238 -0.038206 0.067165 0.084320 0.309317 -0.290581 0.021834 -0.004683 0.101628 0.157556 0.090141 -0.271629 0.097444 0.237246 0.002942 0.003695 -0.049438 -0.077655 -0.276242 -0.139217 0.208773 0.001352 0.030007 -0.009630 0.017851 0.011558 0.002461 -0.389161 -0.035504 1.018286 0.081527 0.019262 0.042732 -0.079072 0.066019 0.240794 -0.048065 -0.015488 0.269613 -0.165432 -0.283332 -0.342043 -0.057843 0.115609 0.003473 -0.036799 -0.016341 -0.031299 0.347059 0.128277 -0.154215 0.154303 0.027545 0.036216 0.022673 0.029258 -0.280683 -0.087499 -0.067752 0.143658 0.016578 0.105414 -0.143667 0.016307 -0.222920 0.475679 -0.067295 -0.082821 0.024124 -0.064178 -0.109781 -0.268094 0.023050 -0.087126 0.011136 -0.003848 0.051096 -0.156334 0.067381 0.142646 -0.413538 -0.087440 -0.040364 -0.066249 0.111851 -0.018048 -0.043632 0.078063 0.036574 0.038359 0.022948 -0.058818 0.175743 0.004181 -0.095031 0.999859 0.028624 -0.057534 0.251546 0.058279 0.294236 -0.219720 0.013558 -0.139996 -0.001445 -0.041399 -0.009685 -0.090143 -0.055528 -0.143869 -0.237924 0.101209 0.033997 -0.087996 -0.042994 -0.011872 0.602861 0.003947 -0.001021 0.061257 -0.058797 -0.078462 -0.091798 -0.132663 0.036655 0.247360 -0.104011 0.043690 -0.085856 -0.025588 -0.115336 0.188732 0.059942 0.012353 0.023628 -0.049012 -0.111653 -0.183282 -0.033097 0.043349 0.038041 0.002309 -0.029485 0.270650 -0.060151 -0.008213 0.009894 0.019871 0.014473 -0.116572 -0.028625 -0.018983 -0.014084 0.004769 -0.011683 0.102703 0.001559 -0.010616 0.100208 0.036410 -0.055861 -0.038713 0.108996 -0.038101 0.068523 -0.031828 0.024641 0.006479 0.050821 0.048788 0.006670 -0.009109 0.031635 0.095292 0.042577 0.025272 -0.041915 0.043939 -0.012472 0.323441 -0.062851 -0.029152 -1.007250 0.011803 -0.011104 -0.018060 0.032894 0.011749 -0.026392 0.048372 0.084145 -0.801958 0.030933 0.037398 0.002074 0.033992 0.112716 -0.151579 -0.047140 -0.057218 0.004837 0.076885 -0.061084 0.021188 -0.044582 0.009073 -0.048652 -0.051534 -0.038342 0.097612 -0.047784 0.053067 -0.181197 0.023539 -0.051380 0.011806 -0.043667 -0.002576 0.028203 0.104646 0.030675 -0.226853 0.093066 0.019860 -0.205989 -0.086330 0.085124 -0.006061 -0.046404 0.051448 -0.262066 -0.048499 -0.023056 -0.291135 -0.113288 0.066783 -0.116544 0.006318 -0.026784 -0.028942 0.503062 0.079500 -0.006813 -0.135419 -0.088656 0.028982 0.098763 0.302342 -0.299574 -0.090095 0.016783 0.127122 0.156517 0.089264 -0.270406 0.084350 0.194117 0.015258 0.009669 -0.130419 -0.075961 -0.274712 -0.140398 0.208692 0.007363 -0.028862 0.012891 -0.016395 -0.031511 0.060049 -0.362859 -0.036792 1.039107 0.176147 -0.010880 0.069654 -0.093133 0.097144 0.246324 -0.040752 0.071567 0.314479 -0.165551 -0.281430 -0.346480 -0.052141 0.101720 -0.011335 0.011192 -0.095625 0.013173 0.348527 0.129224 -0.158804 0.082616 0.009707 -0.002967 -0.011186 -0.061839 -0.228691 -0.102013 -0.077860 0.164638 0.057681 0.113832 -0.015092 0.028308 -0.210395 0.461925 -0.041692 -0.030389 0.053554 -0.064961 -0.109210 -0.266005 -0.035790 -0.102582 0.025644 -0.011604 0.167287 -0.068285 0.061905 0.143466 -0.428083 -0.065003 0.008024 -0.023485 -0.132515 -0.002171 0.014955 0.091852 0.031978 0.066181 0.021038 -0.054444 0.227782 -0.006544 -0.120702 1.007526 0.035853 -0.108245 0.234361 0.058813 0.292548 -0.221234 0.056923 -0.127020 -0.040152 0.037049 0.075701 -0.043547 -0.051773 -0.142387 -0.229724 0.091917 0.026865 -0.049687 0.021967 -0.009562 0.630329 -0.127512 -0.027818 -0.329856 -0.147672 -0.024210 -0.180355 -0.133317 0.034145 0.254174 -0.140995 0.063396 -0.101461 -0.027948 -0.115589 0.179770 0.017165 -0.170807 -0.368654 -0.054893 -0.105629 -0.212151 0.100624 0.247662 0.135686 0.012820 -0.029742 0.254893 0.188250 0.028624 -0.026597 0.352361 -0.035214 -0.343958 0.008954 0.321615 -0.110986 -0.053513 -0.016090 0.065071 -0.102363 0.121548 0.390852 0.134842 -0.066132 -0.227171 0.522170 -0.086514 0.009708 -0.035326 -0.288914 -0.209888 -0.052656 0.138805 0.090187 -0.011324 0.147475 0.119286 -0.193344 0.061260 -0.189758 0.046834 -0.016890 0.330110 -0.063462 -0.031189 -1.016013 0.018011 0.005576 -0.017359 -0.033052 0.056398 -0.015768 0.049167 0.084137 -0.806087 0.011813 0.033558 -0.067826 0.049670 0.110974 -0.078528 -0.065991 -0.098723 0.020899 0.086355 -0.144905 -0.003274 0.024049 -0.027804 -0.026361 -0.059864 0.005681 0.075238 -0.050337 0.053993 -0.176056 0.026625 -0.060270 0.043576 -0.131979 -0.070818 -0.069710 0.094036 0.029624 -0.220230 0.094667 0.025356 -0.200942 -0.019251 0.057539 0.049422 -0.062665 0.071177 -0.303527 -0.052628 -0.031233 -0.259584 -0.103672 0.068697 -0.084389 0.044867 -0.032528 -0.105249 0.470425 0.103010 -0.079565 -0.201062 -0.198723 -0.037488 0.125463 0.302393 -0.305946 -0.311582 0.056090 0.193579 0.154660 0.087948 -0.259091 0.056664 -0.027571 0.035550 0.027437 -0.293397 -0.073337 -0.272595 -0.143157 0.212110 0.093141 -0.158195 0.039716 -0.082318 -0.116483 0.173210 -0.319036 -0.042035 1.076119 0.352013 -0.083213 0.136242 -0.123107 0.153235 0.262505 -0.065311 0.285959 0.404916 -0.163950 -0.279276 -0.350226 -0.043840 0.028057 -0.008880 0.116439 -0.248771 0.092624 0.351786 0.132760 -0.166405 -0.184003 -0.030467 -0.098904 -0.083519 -0.240377 -0.123776 -0.102313 -0.089133 0.193881 0.127452 0.129913 0.246118 0.055722 -0.197989 0.433955 0.014835 0.080643 0.109585 -0.067362 -0.111281 -0.259217 -0.153956 -0.034438 0.042792 -0.025964 0.398195 0.118338 0.053795 0.145024 -0.443196 -0.026538 0.117694 0.047739 -0.636401 0.036389 0.142077 0.097240 0.025394 0.117932 0.016148 -0.043143 0.348259 -0.030461 -0.165567 1.019918 0.042438 -0.223917 0.207662 0.061366 0.290072 -0.221729 0.148877 -0.067869 -0.110919 0.195444 0.234238 0.064671 -0.046095 -0.140713 -0.214575 0.070869 0.025380 0.011302 0.147686 0.017097 0.755321 -0.050678 -0.012821 -0.111783 -0.101488 -0.050291 -0.128467 -0.133169 0.035522 0.250561 -0.122962 0.051633 -0.097429 -0.027037 -0.115629 0.185072 0.045373 -0.070994 -0.150592 -0.051788 -0.109071 -0.196798 0.019111 0.131630 0.081214 0.007841 -0.029825 0.264938 0.055958 0.007111 -0.007789 0.154634 -0.010034 -0.217365 -0.010056 0.139279 -0.063092 -0.023693 -0.013033 0.081581 -0.043250 0.048997 0.237967 0.082857 -0.061270 -0.122340 0.290062 -0.058057 0.037671 -0.032336 -0.117253 -0.094048 0.003602 0.090887 0.046820 -0.010517 0.085196 0.105026 -0.065998 0.041325 -0.113639 0.045304 -0.014913 0.326462 -0.063350 -0.030157 -1.011610 0.014640 -0.003762 -0.018799 0.000882 0.032360 -0.022643 0.048522 0.083965 -0.804135 0.021578 0.037237 -0.029216 0.042496 0.111936 -0.115426 -0.058652 -0.077443 0.014871 0.084369 -0.101708 0.011998 -0.012913 -0.007078 -0.038422 -0.055234 -0.018635 0.087547 -0.049281 0.053425 -0.178868 0.024419 -0.055905 0.027855 -0.084144 -0.032549 -0.019818 0.099126 0.030361 -0.223393 0.093711 0.022617 -0.203751 -0.055618 0.075097 0.022205 -0.054683 0.060642 -0.280377 -0.051165 -0.027023 -0.277206 -0.108713 0.067440 -0.103549 0.024697 -0.028783 -0.060695 0.488150 0.088655 -0.039558 -0.166080 -0.133811 -0.004895 0.109027 0.300821 -0.303933 -0.189218 0.029550 0.154761 0.155310 0.088672 -0.266001 0.074704 0.117603 0.024416 0.020457 -0.206412 -0.071079 -0.274246 -0.141737 0.209666 0.031533 -0.085931 0.020972 -0.046812 -0.068183 0.111374 -0.342167 -0.039077 1.056087 0.253903 -0.042099 0.097737 -0.104690 0.122549 0.252927 -0.046401 0.159847 0.360207 -0.165200 -0.281062 -0.348654 -0.050697 0.076171 -0.011292 0.057708 -0.164951 0.053561 0.350236 0.130519 -0.162527 -0.016793 -0.010839 -0.041918 -0.040331 -0.143066 -0.187972 -0.106194 -0.082336 0.177975 0.089473 0.118056 0.101522 0.039643 -0.203665 0.449791 -0.018823 0.019342 0.077390 -0.066240 -0.110178 -0.263257 -0.089309 -0.085563 0.030753 -0.015176 0.271948 0.015119 0.057745 0.144042 -0.437120 -0.051252 0.053168 0.012051 -0.359686 0.012826 0.075459 0.096836 0.029040 0.088211 0.020916 -0.053522 0.280750 -0.016689 -0.141664 1.012834 0.041692 -0.156471 0.221490 0.059651 0.291805 -0.221920 0.098234 -0.105092 -0.066115 0.108444 0.146940 0.004275 -0.049423 -0.141682 -0.222514 0.089623 0.029069 -0.019870 0.079687 0.006286 0.688760 0.129816 0.004306 0.963869 -0.063553 -0.022489 -0.106639 -0.133603 0.033209 0.255540 -0.078195 0.033037 -0.066768 -0.027498 -0.115087 0.183256 0.018404 -0.063951 -0.128962 -0.057875 -0.112907 -0.197285 0.037049 0.082245 0.073349 0.011174 -0.027745 0.264054 0.059234 0.005896 -0.004483 0.101823 -0.032215 -0.158562 0.003250 0.105009 -0.044739 -0.024788 -0.038729 0.128576 -0.031300 0.043302 0.225545 0.047681 -0.020164 -0.098018 0.188420 -0.048055 0.085434 -0.033628 -0.091730 -0.076881 -0.009677 0.064561 0.038679 0.012782 0.083228 0.118024 -0.073740 0.020053 -0.101911 0.044245 -0.016427 0.329413 -0.062876 -0.030210 -1.014666 0.015654 0.007206 -0.009736 -0.009042 0.035888 -0.003289 0.049405 0.083461 -0.804790 0.013329 0.009152 -0.033067 0.046106 0.115464 -0.108843 -0.030992 -0.058270 0.030048 0.060222 -0.088317 0.016746 0.000992 0.000879 -0.012064 -0.043963 0.008308 0.062706 -0.047978 0.053506 -0.175295 0.027405 -0.058800 0.021630 -0.105504 -0.043494 -0.007864 0.098103 0.030786 -0.230495 0.093923 0.024319 -0.205151 -0.033210 0.046655 0.046288 -0.059612 0.067332 -0.300187 -0.045040 -0.031547 -0.266811 -0.109395 0.064534 -0.103174 0.026459 -0.018706 -0.064406 0.485244 0.106751 -0.052716 -0.131120 -0.122221 -0.007521 0.123838 0.299798 -0.310108 -0.154289 0.050090 0.112111 0.156253 0.088001 -0.270935 0.049277 0.068604 0.035104 -0.000491 -0.151567 -0.078417 -0.272350 -0.141071 0.211385 0.043576 -0.070405 0.056656 -0.037325 -0.040337 0.103918 -0.333913 -0.041939 1.054944 0.203910 -0.044873 0.084566 -0.120751 0.131759 0.246393 -0.015112 0.139965 0.262288 -0.165559 -0.278953 -0.350777 -0.031198 0.031688 -0.007054 0.060123 -0.144357 0.035075 0.349992 0.132456 -0.163169 -0.074522 -0.023472 -0.035475 -0.027798 -0.101860 -0.138628 -0.107053 -0.094260 0.186668 0.072437 0.101332 0.085069 0.042469 -0.198801 0.458311 -0.008202 -0.006468 0.038946 -0.064714 -0.109730 -0.261571 -0.079317 -0.033863 0.032723 -0.017210 0.210518 0.037231 0.055928 0.143617 -0.443327 -0.032220 0.055965 0.014176 -0.243696 0.005495 0.052089 0.099871 0.027456 0.097343 0.014517 -0.044113 0.220091 -0.019930 -0.146486 1.018317 0.023273 -0.118327 0.140624 0.058651 0.290089 -0.220784 0.080690 -0.063681 -0.067931 0.101352 0.129306 0.011638 -0.047584 -0.142120 -0.219468 0.072153 0.025194 0.001222 -0.113207 -0.022671 -0.488076 0.236601 0.014539 1.546112 -0.044847 -0.005463 -0.094495 -0.133802 0.032260 0.257228 -0.057637 0.022462 -0.046357 -0.027787 -0.115124 0.182822 0.005157 -0.059614 -0.119630 -0.059078 -0.113282 -0.197784 0.044124 0.059615 0.068153 0.012582 -0.027372 0.262792 0.057715 0.006811 -0.004388 0.075356 -0.042548 -0.131552 0.009639 0.088228 -0.038117 -0.024485 -0.049595 0.147821 -0.025902 0.038002 0.219010 0.030031 -0.002997 -0.087153 0.143087 -0.041139 0.107150 -0.035307 -0.079620 -0.069964 -0.017033 0.050532 0.035385 0.025025 0.079559 0.123606 -0.075453 0.009776 -0.097717 0.044924 -0.016855 0.327698 -0.062779 -0.030585 -1.016155 0.016162 0.012563 -0.004899 -0.013148 0.037360 0.006980 0.049769 0.082983 -0.805509 0.009055 -0.003913 -0.034889 0.048778 0.115557 -0.106821 -0.017760 -0.049340 0.038413 0.048905 -0.081316 0.021209 0.007107 0.004326 0.001752 -0.039996 0.019742 0.053013 -0.047863 0.053356 -0.175522 0.028573 -0.059968 0.018662 -0.115651 -0.047623 -0.003232 0.097530 0.030304 -0.234181 0.094123 0.024593 -0.206277 -0.022668 0.031930 0.058818 -0.063279 0.068643 -0.310227 -0.043434 -0.032594 -0.260994 -0.109656 0.062580 -0.102961 0.026760 -0.014419 -0.066308 0.483984 0.104639 -0.060394 -0.109152 -0.110446 -0.011020 0.121792 0.299457 -0.314336 -0.140013 0.057642 0.093835 0.156160 0.087419 -0.273703 0.041453 0.043752 0.031927 -0.009117 -0.125562 -0.078652 -0.272513 -0.140858 0.212013 0.051566 -0.063197 0.074595 -0.029718 -0.028502 0.101759 -0.330457 -0.044482 1.054527 0.176630 -0.044539 0.080764 -0.118428 0.134974 0.243608 0.000310 0.131933 0.220367 -0.165327 -0.279563 -0.351197 -0.023971 0.008966 -0.008144 0.060344 -0.134967 0.029573 0.350829 0.133439 -0.163627 -0.099980 -0.025931 -0.037841 -0.023407 -0.082473 -0.105257 -0.106118 -0.090202 0.187999 0.065332 0.090817 0.075045 0.043036 -0.196911 0.462437 -0.003119 -0.018286 0.020149 -0.064632 -0.109959 -0.260690 -0.074948 -0.003792 0.033834 -0.019666 0.182822 0.047125 0.055127 0.142912 -0.445602 -0.026068 0.057775 0.014920 -0.187762 -0.000116 0.044694 0.099603 0.027752 0.100268 0.008749 -0.040085 0.190691 -0.020405 -0.147840 1.020289 0.015972 -0.101401 0.099222 0.058928 0.290000 -0.220554 0.070076 -0.045187 -0.066549 0.098004 0.120899 0.017321 -0.046663 -0.142886 -0.218280 0.066908 0.024744 0.009859 -0.226780 -0.035112 -1.112465 0.170822 0.007830 1.185566 -0.019992 0.007990 -0.079605 -0.134241 0.031450 0.259314 -0.036373 0.016147 -0.024754 -0.028188 -0.115014 0.182318 -0.004256 -0.047934 -0.096835 -0.061331 -0.113951 -0.196446 0.045841 0.027492 0.059314 0.013732 -0.026491 0.261967 0.048708 0.004126 -0.001498 0.041651 -0.048675 -0.093778 0.015857 0.058513 -0.030626 -0.023622 -0.058740 0.159402 -0.016307 0.027972 0.201032 0.009649 0.014423 -0.070162 0.076780 -0.031774 0.120451 -0.035101 -0.055112 -0.056402 -0.021096 0.034676 0.028939 0.034473 0.071437 0.122434 -0.069973 -0.001859 -0.086840 0.044778 -0.017074 0.326769 -0.062722 -0.030554 -1.017441 0.016374 0.018335 0.000865 -0.015333 0.037571 0.017310 0.050023 0.082891 -0.806209 0.004248 -0.016906 -0.034509 0.050547 0.116322 -0.106775 -0.003906 -0.037769 0.046270 0.035331 -0.070057 0.026346 0.012223 0.008739 0.015331 -0.033209 0.029829 0.040603 -0.047487 0.053427 -0.175091 0.029898 -0.061018 0.014750 -0.119266 -0.048361 0.001781 0.097387 0.030529 -0.238279 0.093972 0.025157 -0.207554 -0.011352 0.017836 0.067890 -0.066626 0.070174 -0.319539 -0.040843 -0.033290 -0.256131 -0.110990 0.060662 -0.103253 0.025334 -0.010031 -0.064625 0.483612 0.106618 -0.065956 -0.089100 -0.093195 -0.011229 0.121919 0.298561 -0.317802 -0.121068 0.063183 0.066757 0.156260 0.087148 -0.278131 0.035327 0.016110 0.032987 -0.020129 -0.094504 -0.073646 -0.272466 -0.140234 0.212215 0.060201 -0.050343 0.089742 -0.023939 -0.014275 0.094697 -0.328206 -0.046680 1.052345 0.141626 -0.040498 0.071539 -0.118003 0.137392 0.239344 0.020074 0.115802 0.166892 -0.165827 -0.279333 -0.352229 -0.013882 -0.012520 -0.009788 0.054728 -0.116179 0.028195 0.350972 0.134712 -0.164078 -0.121230 -0.030371 -0.028372 -0.015276 -0.056751 -0.076537 -0.104786 -0.089171 0.190565 0.055346 0.077395 0.059111 0.042680 -0.194205 0.468531 -0.000508 -0.033955 -0.001260 -0.064257 -0.109716 -0.260123 -0.067551 0.027746 0.034121 -0.021067 0.139200 0.056419 0.054308 0.142405 -0.447630 -0.020248 0.056373 0.015757 -0.120219 -0.005987 0.031985 0.098754 0.028248 0.102803 0.001535 -0.037978 0.155717 -0.020672 -0.148512 1.022853 0.013433 -0.084694 0.056242 0.058301 0.289829 -0.220364 0.054479 -0.021678 -0.063221 0.085876 0.101968 0.021462 -0.046099 -0.143539 -0.217285 0.060456 0.024020 0.017920 -0.150762 -0.031319 -0.772849 -0.026064 -0.013307 0.195704 0.051548 0.056008 -0.034161 -0.135586 0.028321 0.266002 0.032194 -0.005204 0.042518 -0.029743 -0.114794 0.181565 -0.032118 -0.016882 -0.028101 -0.069310 -0.118314 -0.192337 0.046390 -0.078189 0.022236 0.017207 -0.024308 0.260399 0.017189 -0.003720 0.007176 -0.061937 -0.074686 0.021775 0.029689 -0.029733 0.004021 -0.019023 -0.077011 0.209917 0.006696 0.005982 0.148687 -0.055055 0.064618 -0.018914 -0.124212 -0.008747 0.173353 -0.032738 0.015026 -0.011864 -0.035139 -0.017464 0.009815 0.062926 0.037909 0.118684 -0.047155 -0.033956 -0.053438 0.043993 -0.018667 0.326309 -0.062562 -0.031131 -1.020168 0.016756 0.035540 0.018431 -0.021416 0.037941 0.044564 0.050733 0.081843 -0.807296 -0.010268 -0.059235 -0.033261 0.054604 0.120071 -0.106782 0.040256 -0.001944 0.059595 -0.010828 -0.034420 0.033825 0.028240 0.021133 0.055080 -0.012948 0.063271 0.003816 -0.046398 0.053137 -0.172435 0.033904 -0.064523 0.002135 -0.128988 -0.050475 0.016705 0.097304 0.030358 -0.250007 0.093433 0.026598 -0.210510 0.026198 -0.025591 0.094339 -0.075454 0.075005 -0.347206 -0.031974 -0.036957 -0.237916 -0.115167 0.054648 -0.102763 0.023251 0.004503 -0.059365 0.483570 0.116129 -0.079822 -0.021230 -0.041723 -0.016650 0.124179 0.297658 -0.324628 -0.042689 0.082276 -0.008358 0.156687 0.085603 -0.286898 0.008238 -0.066749 0.033864 -0.052990 0.003345 -0.064450 -0.271547 -0.139359 0.214216 0.091579 -0.011259 0.132969 0.004263 0.035439 0.077186 -0.322336 -0.053630 1.045255 0.029341 -0.031703 0.038254 -0.123568 0.144098 0.232578 0.065580 0.070566 0.008911 -0.166777 -0.278728 -0.353868 0.017595 -0.081993 -0.006353 0.038496 -0.065057 0.010412 0.350770 0.137637 -0.164404 -0.183149 -0.045925 -0.031098 0.008094 0.018690 0.021872 -0.101090 -0.091142 0.196130 0.028068 0.040424 0.007941 0.042262 -0.188260 0.485886 0.009130 -0.080857 -0.057805 -0.063393 -0.109468 -0.258020 -0.040818 0.128162 0.029784 -0.024902 0.026492 0.078166 0.052109 0.140863 -0.454791 0.006541 0.049137 0.010303 0.070128 -0.025031 -0.003750 0.096924 0.028393 0.113844 -0.022638 -0.026265 0.047124 -0.022282 -0.149530 1.029681 -0.003228 -0.028927 -0.067370 0.057358 0.288409 -0.218947 0.015833 0.044322 -0.052303 0.048225 0.045755 0.036810 -0.044608 -0.145469 -0.214291 0.033714 0.025431 0.046114 0.080133 -0.020409 0.136378 -0.065659 -0.018017 0.009651 0.065822 0.064768 -0.023956 -0.135890 0.027641 0.266997 0.043748 -0.010723 0.057370 -0.029911 -0.114806 0.181602 -0.037749 -0.008271 -0.014437 -0.070569 -0.119446 -0.191328 0.047663 -0.098041 0.016454 0.017858 -0.023897 0.260049 0.012717 -0.005508 0.009279 -0.083750 -0.079494 0.043866 0.033549 -0.048093 0.007664 -0.018553 -0.084543 0.218720 0.011300 -0.001524 0.137058 -0.067177 0.075111 -0.008793 -0.161968 -0.003563 0.183428 -0.032496 0.029351 -0.003444 -0.038185 -0.028883 0.005481 0.069190 0.034190 0.118337 -0.046109 -0.040317 -0.046202 0.043713 -0.019097 0.326100 -0.062438 -0.031259 -1.021314 0.016912 0.039125 0.022133 -0.022765 0.038603 0.049732 0.051025 0.081550 -0.807933 -0.012460 -0.067861 -0.033575 0.055501 0.120807 -0.106844 0.048477 0.005239 0.062475 -0.020183 -0.026666 0.036885 0.031914 0.023878 0.063251 -0.006862 0.069732 -0.007055 -0.046076 0.053057 -0.171814 0.034759 -0.065201 -0.000405 -0.129723 -0.049555 0.018502 0.097255 0.030127 -0.252811 0.093385 0.026823 -0.211490 0.033088 -0.032868 0.099622 -0.077297 0.076257 -0.353123 -0.030299 -0.037961 -0.235724 -0.115905 0.053278 -0.103000 0.022231 0.007203 -0.059450 0.483225 0.116779 -0.082907 -0.012538 -0.032184 -0.017186 0.124852 0.297306 -0.328390 -0.033533 0.087572 -0.020935 0.156859 0.085152 -0.290094 0.004896 -0.078674 0.035701 -0.061139 0.018212 -0.061451 -0.271548 -0.139142 0.214250 0.097590 -0.004047 0.140598 0.008857 0.043519 0.075146 -0.321010 -0.054961 1.043412 0.015036 -0.032770 0.032059 -0.124218 0.145318 0.228755 0.078712 0.061887 -0.014803 -0.167062 -0.279103 -0.354756 0.023641 -0.095315 -0.008948 0.035868 -0.054394 0.009545 0.350934 0.137544 -0.164715 -0.196267 -0.046940 -0.019494 0.014653 0.031162 0.029456 -0.100542 -0.090509 0.195660 0.022152 0.034213 -0.000837 0.042188 -0.187118 0.488442 0.008572 -0.088568 -0.068443 -0.062260 -0.109465 -0.257883 -0.037166 0.149743 0.028921 -0.027590 0.008177 0.086779 0.051911 0.140274 -0.456941 0.010939 0.045344 0.010599 0.103369 -0.028090 -0.010456 0.097005 0.028298 0.114710 -0.025806 -0.024666 0.026372 -0.022375 -0.150598 1.030807 -0.005878 -0.018879 -0.092577 0.056231 0.288450 -0.218953 0.008614 0.057008 -0.051242 0.041649 0.035298 0.039834 -0.044425 -0.145459 -0.213657 0.030557 0.023598 0.051302 0.126966 -0.015116 0.310358 -0.053366 -0.018246 0.071394 0.065629 0.063094 -0.015751 -0.136258 0.027419 0.267404 0.041496 -0.003776 0.059934 -0.030139 -0.114906 0.181704 -0.037455 -0.006044 -0.005649 -0.070899 -0.120356 -0.187491 0.033956 -0.083831 0.015878 0.018127 -0.023821 0.260431 0.004168 -0.008258 0.008543 -0.073569 -0.074783 0.048461 0.027695 -0.054067 0.010739 -0.018217 -0.074620 0.204825 0.012997 0.000725 0.120269 -0.066429 0.069886 -0.004294 -0.153159 -0.007030 0.175087 -0.027529 0.034707 -0.001521 -0.036581 -0.032654 0.004761 0.062517 0.026012 0.107218 -0.034355 -0.036888 -0.038671 0.043559 -0.019567 0.325451 -0.062470 -0.031253 -1.020773 0.016584 0.039754 0.023084 -0.020489 0.035761 0.048548 0.051070 0.081365 -0.808112 -0.016182 -0.065222 -0.028016 0.056332 0.121494 -0.107712 0.048425 0.006247 0.060095 -0.020563 -0.019181 0.033660 0.030052 0.022590 0.058726 -0.005342 0.067471 -0.004455 -0.045982 0.052892 -0.171583 0.035519 -0.066581 -0.000999 -0.118521 -0.042614 0.022582 0.098975 0.031433 -0.253027 0.093248 0.027093 -0.212129 0.034799 -0.034730 0.091170 -0.078656 0.075136 -0.352230 -0.029127 -0.037177 -0.233362 -0.118362 0.052709 -0.101587 0.020517 0.005574 -0.051951 0.485826 0.113716 -0.081313 -0.009415 -0.027143 -0.018220 0.121617 0.297898 -0.328062 -0.029914 0.082994 -0.022135 0.157075 0.085274 -0.291955 0.005690 -0.086780 0.035957 -0.057014 0.020654 -0.057312 -0.271805 -0.139179 0.214208 0.097564 -0.002963 0.134266 0.011357 0.041566 0.074754 -0.323008 -0.056663 1.040105 0.006862 -0.032742 0.025646 -0.121530 0.145648 0.229182 0.071590 0.049110 -0.014452 -0.167278 -0.278794 -0.354831 0.024607 -0.097956 -0.007272 0.030659 -0.048762 0.012784 0.350913 0.137564 -0.164890 -0.184996 -0.048668 -0.023114 0.018515 0.032393 0.042210 -0.099623 -0.086945 0.196317 0.022478 0.028667 0.000832 0.040414 -0.187453 0.490393 0.007301 -0.088295 -0.064483 -0.061732 -0.109837 -0.258078 -0.032066 0.142838 0.026002 -0.025835 0.002518 0.081697 0.051547 0.140116 -0.458657 0.010472 0.039359 0.010318 0.090764 -0.028629 -0.011442 0.096583 0.029025 0.115318 -0.026201 -0.022210 0.028118 -0.021467 -0.150289 1.033334 -0.004938 -0.012511 -0.085017 0.055665 0.287946 -0.219126 0.003478 0.065094 -0.048002 0.037498 0.028796 0.039246 -0.044285 -0.145469 -0.213909 0.030230 0.025425 0.051568 0.110389 -0.011074 0.239366 -0.015107 -0.018317 0.260904 0.064486 0.057793 0.003232 -0.136822 0.026470 0.268998 0.033765 0.017309 0.069260 -0.030507 -0.115044 0.183351 -0.030022 0.002720 0.021233 -0.072197 -0.122177 -0.175148 -0.010644 -0.043997 0.013004 0.019271 -0.022781 0.263178 -0.018883 -0.014396 0.007413 -0.045462 -0.062130 0.062414 0.012323 -0.072657 0.018415 -0.019051 -0.049572 0.155263 0.015510 0.004951 0.073466 -0.061905 0.055374 0.012329 -0.128554 -0.012212 0.150734 -0.012141 0.051504 0.005103 -0.031365 -0.042500 0.002488 0.042099 0.005637 0.077542 -0.003335 -0.025301 -0.013795 0.043321 -0.020507 0.324611 -0.062230 -0.030997 -1.018843 0.015926 0.041459 0.026796 -0.013343 0.027729 0.048184 0.051548 0.081210 -0.808428 -0.026125 -0.057134 -0.011323 0.058688 0.123071 -0.108862 0.047132 0.008563 0.058732 -0.020982 0.002868 0.028378 0.024714 0.019543 0.046672 0.001241 0.059979 -0.000224 -0.045170 0.052730 -0.170269 0.038207 -0.070328 -0.001583 -0.079809 -0.019987 0.033918 0.103957 0.035809 -0.253222 0.093163 0.028130 -0.213494 0.041393 -0.038174 0.066005 -0.081943 0.072627 -0.349019 -0.024559 -0.034740 -0.227583 -0.124900 0.051140 -0.096261 0.013326 -0.001481 -0.027977 0.493337 0.113230 -0.075356 0.008282 0.004181 -0.016612 0.118895 0.299139 -0.326447 -0.021772 0.063142 -0.025662 0.157328 0.085012 -0.298241 -0.000890 -0.120994 0.025785 -0.037672 0.036504 -0.041253 -0.272410 -0.138494 0.213593 0.091201 -0.004476 0.111185 0.020324 0.037657 0.062564 -0.327995 -0.061039 1.032298 -0.027059 -0.026034 0.002027 -0.117700 0.146425 0.230605 0.060771 0.007230 -0.020648 -0.167611 -0.279224 -0.355771 0.026743 -0.104225 -0.004012 0.011124 -0.024860 0.025130 0.351318 0.138611 -0.165471 -0.150376 -0.056580 -0.022508 0.026629 0.036641 0.081344 -0.096265 -0.083364 0.198026 0.018091 -0.000514 0.010289 0.036360 -0.188065 0.499361 0.001179 -0.075028 -0.049934 -0.061166 -0.109648 -0.258783 -0.012359 0.115111 0.015046 -0.020323 -0.030433 0.065081 0.051211 0.139189 -0.463942 0.019406 0.022918 0.010239 0.053788 -0.024190 -0.017847 0.095878 0.030546 0.116110 -0.026403 -0.016888 0.026096 -0.019582 -0.149575 1.041455 -0.001086 0.009999 -0.059297 0.055220 0.288377 -0.219400 -0.013499 0.089807 -0.036026 0.019993 0.007567 0.034724 -0.043967 -0.146241 -0.214504 0.022915 0.026764 0.055573 0.053129 -0.010367 0.009593 0.064973 -0.017522 0.653738 0.063246 0.049862 0.041763 -0.138096 0.023427 0.273086 0.019402 0.058876 0.088783 -0.031077 -0.115259 0.184317 -0.015077 0.017768 0.073714 -0.076970 -0.129945 -0.150675 -0.093166 0.047709 0.002648 0.021141 -0.019991 0.267815 -0.058665 -0.028308 0.009334 0.018231 -0.034575 0.085364 -0.017133 -0.109310 0.032975 -0.020745 -0.011023 0.063694 0.018995 0.012900 -0.021812 -0.046518 0.032550 0.044580 -0.080236 -0.022454 0.105231 0.017106 0.085921 0.017792 -0.022674 -0.062640 -0.003401 0.000973 -0.030065 0.025132 0.051137 -0.003302 0.042370 0.041002 -0.022903 0.329263 -0.061694 -0.030508 -1.015442 0.014384 0.044070 0.032526 -0.000941 0.013756 0.045066 0.052313 0.080380 -0.808837 -0.044149 -0.041708 0.020241 0.061343 0.128818 -0.110806 0.044431 0.013278 0.050880 -0.021180 0.046890 0.016037 0.014473 0.014522 0.019490 0.022404 0.047931 0.000725 -0.043043 0.052181 -0.164292 0.043172 -0.077800 -0.003422 -0.010102 0.027912 0.058244 0.113628 0.043782 -0.254150 0.092625 0.029777 -0.216203 0.054761 -0.044686 0.012684 -0.086153 0.070918 -0.342173 -0.013560 -0.033324 -0.219597 -0.137978 0.047519 -0.086064 -0.002642 -0.015573 0.017394 0.506946 0.127998 -0.063952 0.028370 0.050156 -0.008377 0.129795 0.300514 -0.331358 -0.000584 0.030474 -0.026314 0.158571 0.084843 -0.310367 -0.013304 -0.193691 0.007467 -0.004772 0.056360 -0.011754 -0.271904 -0.137927 0.212520 0.083275 0.003634 0.070809 0.037862 0.033309 0.045482 -0.337295 -0.068089 1.014932 -0.073104 -0.014252 -0.039726 -0.128855 0.148510 0.228424 0.034020 -0.071482 -0.043029 -0.169078 -0.277161 -0.359000 0.031543 -0.121186 0.001629 -0.029445 0.021522 0.048884 0.350154 0.138250 -0.166457 -0.088714 -0.066237 0.001816 0.045066 0.044409 0.133067 -0.086146 -0.092549 0.204975 0.008279 -0.053955 0.024185 0.029760 -0.188659 0.515577 -0.007734 -0.049148 -0.014615 -0.057455 -0.110040 -0.260683 0.028374 0.064413 -0.005831 -0.006193 -0.092690 0.041688 0.050394 0.137628 -0.474039 0.032474 -0.016821 0.008630 -0.021491 -0.018816 -0.028880 0.091269 0.030919 0.120795 -0.027833 0.001533 0.018098 -0.017773 -0.150927 1.057816 0.001571 0.048371 -0.019783 0.051081 0.286127 -0.219677 -0.047667 0.137248 -0.011807 -0.010985 -0.035478 0.033236 -0.043637 -0.146249 -0.214941 0.006057 0.025512 0.061960 -0.068830 -0.006223 -0.459415 -0.023714 -0.029391 0.213305 0.056437 0.040707 0.044547 -0.138474 0.023752 0.272359 0.013066 0.058558 0.089346 -0.031236 -0.115320 0.185159 -0.010239 0.019479 0.073918 -0.076044 -0.129345 -0.143650 -0.095354 0.049414 0.001211 0.021173 -0.020191 0.268180 -0.060198 -0.029813 0.007867 0.032403 -0.020252 0.080744 -0.023176 -0.099650 0.027989 -0.022621 0.006163 0.027652 0.015352 0.013674 -0.037308 -0.038105 0.023537 0.049775 -0.064538 -0.024734 0.079959 0.021183 0.077452 0.016115 -0.018031 -0.060713 -0.001365 -0.007581 -0.039338 0.007965 0.058956 0.002146 0.049081 0.041917 -0.022694 0.325864 -0.061868 -0.030317 -1.015087 0.014003 0.045080 0.034620 0.002400 0.007883 0.043477 0.052410 0.080466 -0.809202 -0.047115 -0.031568 0.027040 0.064043 0.127952 -0.110630 0.039623 0.010949 0.047593 -0.018223 0.055075 0.015389 0.013035 0.011379 0.014352 0.020995 0.041173 0.008070 -0.043301 0.052090 -0.164952 0.044551 -0.080127 -0.002135 0.001674 0.035078 0.059704 0.115645 0.046565 -0.252603 0.092576 0.030198 -0.216848 0.052470 -0.041673 -0.000580 -0.089943 0.068407 -0.337010 -0.013755 -0.031548 -0.217404 -0.140617 0.047387 -0.085112 -0.007070 -0.016193 0.030349 0.509830 0.114743 -0.060178 0.030739 0.057254 -0.009041 0.115518 0.299864 -0.330674 -0.001175 0.017641 -0.021429 0.158182 0.084794 -0.313097 -0.014691 -0.186400 0.003531 0.000503 0.053428 0.000311 -0.272721 -0.137363 0.212010 0.074063 0.002611 0.056257 0.036133 0.024764 0.042065 -0.339899 -0.071091 1.012739 -0.074960 -0.011464 -0.045158 -0.114356 0.148442 0.227842 0.028658 -0.077393 -0.032175 -0.169159 -0.277815 -0.358722 0.031373 -0.119103 0.000659 -0.034530 0.025359 0.062089 0.350324 0.139497 -0.166612 -0.075004 -0.062898 -0.004924 0.042368 0.038655 0.149387 -0.083092 -0.078840 0.202172 0.009768 -0.066586 0.032132 0.026006 -0.187966 0.517112 -0.008056 -0.035905 -0.002346 -0.057826 -0.109817 -0.260855 0.028011 0.052581 -0.011035 -0.003270 -0.093849 0.040433 0.050021 0.137141 -0.473688 0.033623 -0.022345 0.008149 -0.039452 -0.016139 -0.022665 0.088750 0.033651 0.118748 -0.027015 0.000659 0.029686 -0.014958 -0.149900 1.062245 0.003734 0.054809 -0.007004 0.051522 0.286603 -0.220098 -0.045963 0.141493 -0.006300 -0.015668 -0.039506 0.035097 -0.043350 -0.147231 -0.215242 0.000852 0.022912 0.057587 0.022455 0.003013 -0.016750 -0.137163 -0.044943 -0.358724 0.043993 0.032321 0.050019 -0.138879 0.023434 0.272893 0.004266 0.060186 0.091579 -0.031219 -0.115092 0.186261 -0.004546 0.020378 0.076323 -0.076997 -0.131165 -0.133791 -0.094990 0.046861 0.002471 0.021267 -0.019536 0.269778 -0.059629 -0.031710 0.008206 0.046863 -0.004765 0.076300 -0.031662 -0.087416 0.025610 -0.023742 0.026038 -0.013089 0.010094 0.017737 -0.057560 -0.024359 0.009619 0.058273 -0.041392 -0.029354 0.048381 0.027259 0.066106 0.013468 -0.011872 -0.057196 0.001094 -0.021855 -0.049127 -0.014580 0.067074 0.010605 0.060820 0.041752 -0.023298 0.325772 -0.061829 -0.029933 -1.014024 0.013053 0.045858 0.036924 0.006469 0.000438 0.040484 0.052680 0.080382 -0.809198 -0.049851 -0.018116 0.036404 0.066332 0.128968 -0.108578 0.034285 0.006728 0.039921 -0.014643 0.065792 0.010812 0.012145 0.006849 0.005529 0.022936 0.032508 0.015797 -0.043026 0.052032 -0.163103 0.047059 -0.083762 -0.001117 0.016311 0.043106 0.061558 0.118894 0.050859 -0.250360 0.092529 0.031117 -0.217388 0.048833 -0.037052 -0.020634 -0.092945 0.067670 -0.329713 -0.011596 -0.031297 -0.215563 -0.144436 0.047438 -0.083396 -0.011693 -0.018154 0.047115 0.514477 0.114202 -0.053462 0.034330 0.068373 -0.009670 0.113375 0.301191 -0.328168 0.005177 -0.002088 -0.017566 0.158625 0.085059 -0.316520 -0.018125 -0.183318 -0.003795 0.011927 0.049927 0.013704 -0.273707 -0.136981 0.211321 0.057354 -0.002264 0.033435 0.033674 0.012739 0.030865 -0.343922 -0.073767 1.010064 -0.076724 -0.007175 -0.053657 -0.112023 0.149015 0.229118 0.018536 -0.086876 -0.019839 -0.169471 -0.278272 -0.359426 0.032965 -0.115327 0.006280 -0.044168 0.032388 0.074427 0.350697 0.140267 -0.167010 -0.053628 -0.058849 -0.009593 0.037305 0.029514 0.168469 -0.080280 -0.076613 0.202168 0.009039 -0.081553 0.042665 0.022195 -0.189563 0.520989 -0.005892 -0.016242 0.015120 -0.057273 -0.109485 -0.261569 0.030782 0.038966 -0.018249 0.000755 -0.099691 0.034572 0.049859 0.136923 -0.477276 0.035300 -0.030634 0.010206 -0.066202 -0.011303 -0.018222 0.088059 0.035064 0.116338 -0.028236 0.008298 0.036770 -0.012694 -0.149349 1.069748 0.004994 0.065930 0.012355 0.051066 0.287277 -0.220313 -0.046639 0.149711 0.004056 -0.023961 -0.045746 0.036522 -0.043131 -0.147509 -0.215868 -0.004681 0.020685 0.054802 0.134493 0.015960 0.545237 -0.132501 -0.046278 -0.351639 0.023202 0.018511 0.047735 -0.139138 0.023036 0.273345 0.003378 0.038945 0.085179 -0.031009 -0.114785 0.186613 -0.001929 0.015731 0.066202 -0.079031 -0.134179 -0.124378 -0.064515 0.023094 -0.000727 0.020870 -0.018916 0.271127 -0.043601 -0.025796 0.009142 0.050794 0.008809 0.067312 -0.035406 -0.058063 0.022150 -0.022281 0.036845 -0.034598 0.002940 0.021172 -0.062469 -0.007011 0.000567 0.062902 -0.009787 -0.030144 0.027705 0.025986 0.041388 0.010972 -0.005465 -0.048500 0.006141 -0.026739 -0.046443 -0.021544 0.059622 0.016334 0.068874 0.041338 -0.024211 0.328754 -0.061774 -0.029618 -1.013606 0.012104 0.046140 0.037998 0.008497 -0.008244 0.035695 0.052844 0.080114 -0.808687 -0.047175 -0.003911 0.042181 0.067903 0.130227 -0.104087 0.027443 -0.000303 0.026824 -0.009434 0.069339 0.006387 0.012662 0.002498 -0.001026 0.024722 0.026105 0.022751 -0.042914 0.051845 -0.159583 0.049430 -0.087671 0.000551 0.015535 0.039379 0.064101 0.120708 0.054989 -0.246896 0.092490 0.031762 -0.217196 0.040702 -0.027109 -0.033573 -0.095326 0.069203 -0.320371 -0.009841 -0.033770 -0.216190 -0.146197 0.047837 -0.083306 -0.016422 -0.016191 0.057262 0.517959 0.120343 -0.045115 0.024655 0.069376 -0.009969 0.119375 0.301794 -0.328691 0.019037 -0.020074 -0.008047 0.159527 0.085669 -0.316310 -0.026181 -0.157655 -0.008047 0.018714 0.046958 0.021641 -0.273584 -0.136902 0.211343 0.033229 -0.007109 0.008845 0.028605 0.001182 0.022526 -0.347560 -0.074937 1.011581 -0.060744 -0.005344 -0.055930 -0.118333 0.149928 0.226876 0.003371 -0.080888 -0.002563 -0.170140 -0.276733 -0.360251 0.030974 -0.108312 0.012234 -0.043589 0.030140 0.073581 0.349794 0.140636 -0.166890 -0.039714 -0.045508 -0.006346 0.024641 0.015201 0.166477 -0.077074 -0.081999 0.201944 0.008445 -0.089629 0.054591 0.019085 -0.191612 0.523073 -0.002960 0.007588 0.031132 -0.056061 -0.109524 -0.261950 0.026175 0.026450 -0.021629 0.004919 -0.093193 0.025249 0.049535 0.137073 -0.478777 0.034053 -0.036102 0.014191 -0.077560 -0.006452 -0.011642 0.087009 0.035234 0.112851 -0.026998 0.015360 0.050443 -0.010981 -0.150095 1.077508 0.002021 0.071218 0.026360 0.049861 0.285963 -0.220049 -0.036577 0.149910 0.016557 -0.023692 -0.042709 0.034196 -0.042623 -0.147668 -0.216038 -0.012327 0.014182 0.051477 0.110040 0.018503 0.515537 -0.120254 -0.050515 -0.338491 -0.023780 -0.015931 0.045571 -0.139391 0.022438 0.272481 -0.008005 -0.007927 0.067466 -0.030630 -0.114520 0.188393 0.011714 0.007628 0.033116 -0.081253 -0.137404 -0.099314 0.006684 -0.045242 0.003020 0.019977 -0.018159 0.274487 -0.000648 -0.015912 0.013091 0.065275 0.050173 0.032014 -0.044046 0.031464 0.001159 -0.023899 0.071431 -0.112590 -0.018745 0.023295 -0.075453 0.043455 -0.031467 0.076618 0.086910 -0.029568 -0.036702 0.019981 -0.035517 0.004232 0.013511 -0.017067 0.018656 -0.044096 -0.047206 -0.048975 0.041538 0.025638 0.086270 0.041835 -0.025485 0.327398 -0.061893 -0.029201 -1.012631 0.009258 0.046801 0.043183 0.015576 -0.034750 0.024969 0.053260 0.079524 -0.808421 -0.039653 0.039629 0.057460 0.074905 0.128731 -0.092851 0.004500 -0.023419 0.004230 0.007224 0.077428 0.002150 0.014022 -0.013057 -0.015237 0.023098 0.000353 0.046210 -0.042743 0.051048 -0.154782 0.056898 -0.098776 0.007844 0.015720 0.030846 0.070718 0.126118 0.066669 -0.236605 0.092454 0.033151 -0.217675 0.014167 -0.001583 -0.075591 -0.105246 0.068776 -0.292906 -0.007697 -0.036774 -0.216394 -0.151467 0.048657 -0.083118 -0.030292 -0.010983 0.089678 0.527297 0.116413 -0.021765 -0.000399 0.074731 -0.011542 0.111782 0.301651 -0.322918 0.025692 -0.073917 0.018484 0.160601 0.086279 -0.323539 -0.045419 -0.083584 -0.017038 0.037977 0.033931 0.055295 -0.274417 -0.135918 0.209316 -0.045688 -0.024062 -0.073579 0.013386 -0.034254 -0.006523 -0.357992 -0.081442 1.016234 -0.016168 0.006532 -0.053341 -0.107989 0.150317 0.224358 -0.010916 -0.063092 0.055033 -0.171357 -0.275699 -0.362431 0.029269 -0.079576 0.018171 -0.040348 0.022796 0.093614 0.348286 0.144471 -0.167986 0.002758 -0.012138 -0.006152 -0.016381 -0.028719 0.170493 -0.067405 -0.076058 0.196157 0.011582 -0.108026 0.089181 0.008071 -0.196355 0.529611 0.006722 0.080017 0.078196 -0.057393 -0.109033 -0.263706 0.014998 -0.009515 -0.027187 0.018855 -0.075185 0.002719 0.048553 0.135829 -0.482681 0.034577 -0.042911 0.022757 -0.112342 0.010900 0.015857 0.082209 0.039571 0.100526 -0.025691 0.030237 0.089298 -0.003391 -0.150031 1.098911 -0.002575 0.084947 0.072037 0.051387 0.284433 -0.220849 -0.011139 0.144876 0.050673 -0.024391 -0.028039 0.031928 -0.040815 -0.151296 -0.217840 -0.033818 0.002709 0.037618 0.047688 0.024990 0.429930 0.002868 -0.035373 0.298670 -0.018587 -0.009833 0.042661 -0.139323 0.022230 0.272346 -0.001908 -0.012942 0.058408 -0.030395 -0.114016 0.187966 0.007043 0.005304 0.030726 -0.082630 -0.138362 -0.104093 -0.003694 -0.039128 -0.005084 0.019133 -0.017678 0.273768 0.004057 -0.011152 0.016935 0.040107 0.039183 0.034210 -0.035429 0.030940 0.006528 -0.017798 0.060404 -0.077512 -0.017121 0.016978 -0.060080 0.037401 -0.023262 0.066660 0.070245 -0.020738 -0.017081 0.012430 -0.034350 0.012370 0.010563 -0.009685 0.015706 -0.030873 -0.039891 -0.030108 0.028087 0.019640 0.080907 0.041437 -0.025433 0.329386 -0.061999 -0.028851 -1.014447 0.008383 0.046010 0.040822 0.013511 -0.033025 0.024635 0.053275 0.079276 -0.808876 -0.033462 0.029727 0.053322 0.074787 0.129156 -0.089507 0.003338 -0.022895 -0.000178 0.006957 0.061964 0.001929 0.014992 -0.013984 -0.006360 0.023905 0.003860 0.042293 -0.042968 0.050807 -0.153381 0.057881 -0.100159 0.007863 0.006505 0.019705 0.071892 0.124245 0.067446 -0.236884 0.092653 0.033263 -0.217892 0.015317 -0.000809 -0.063359 -0.105472 0.072437 -0.291017 -0.006989 -0.040550 -0.216339 -0.149059 0.047991 -0.083612 -0.024280 -0.006237 0.075689 0.526452 0.125340 -0.022884 -0.002502 0.064532 -0.007629 0.121916 0.299774 -0.321843 0.033637 -0.060314 0.009700 0.160917 0.086231 -0.321494 -0.040455 -0.078171 -0.011090 0.026397 0.037210 0.043971 -0.274678 -0.135920 0.209030 -0.030941 -0.019364 -0.060791 0.011818 -0.027738 -0.013349 -0.357954 -0.078443 1.026767 -0.010986 0.005011 -0.045121 -0.119098 0.149877 0.222605 -0.010515 -0.053532 0.049858 -0.171452 -0.276122 -0.363557 0.028729 -0.073785 0.022476 -0.033734 0.018754 0.079481 0.348461 0.144196 -0.168290 -0.003619 -0.010739 -0.000161 -0.020464 -0.022802 0.154033 -0.068019 -0.086552 0.194749 0.011015 -0.095853 0.081922 0.011005 -0.195939 0.529312 0.011522 0.064264 0.063528 -0.057069 -0.108851 -0.264019 0.013331 -0.007958 -0.018119 0.010203 -0.073126 0.006954 0.048880 0.136128 -0.481922 0.031350 -0.033943 0.020459 -0.077808 0.006705 0.016696 0.082825 0.037697 0.095663 -0.023122 0.028737 0.085301 -0.005977 -0.149478 1.097537 -0.006866 0.074112 0.060977 0.050998 0.284997 -0.220988 -0.009115 0.129816 0.047095 -0.019845 -0.022679 0.030019 -0.040654 -0.151000 -0.218392 -0.028343 0.000940 0.035987 -0.083372 0.010017 -0.214352 0.021443 -0.033231 0.395259 -0.017014 -0.009317 0.040540 -0.139453 0.022586 0.271822 -0.000839 -0.013480 0.056426 -0.030321 -0.114064 0.188261 0.006244 0.005000 0.030384 -0.081773 -0.137345 -0.104833 -0.005555 -0.037690 -0.005401 0.018885 -0.018158 0.273427 0.002517 -0.010411 0.016925 0.037062 0.037479 0.034550 -0.034560 0.031054 0.008195 -0.016635 0.060957 -0.073977 -0.017128 0.015969 -0.057466 0.035522 -0.023541 0.065316 0.068378 -0.019338 -0.014372 0.011229 -0.034396 0.013504 0.010159 -0.008553 0.015575 -0.028902 -0.041390 -0.028515 0.027971 0.018522 0.078756 0.042068 -0.025538 0.327466 -0.062178 -0.028905 -1.014834 0.008224 0.046164 0.041026 0.013189 -0.032761 0.024631 0.053243 0.079290 -0.808844 -0.033218 0.028572 0.052727 0.075758 0.128322 -0.088765 0.002826 -0.022507 -0.001040 0.006957 0.059466 0.002361 0.014788 -0.014375 -0.003906 0.021839 0.004404 0.043927 -0.043304 0.050745 -0.154131 0.058000 -0.100312 0.008115 0.005742 0.017922 0.071454 0.124064 0.067493 -0.236873 0.092686 0.033243 -0.218038 0.015556 -0.001625 -0.060427 -0.106674 0.071651 -0.290470 -0.008020 -0.040113 -0.215048 -0.148885 0.047814 -0.083754 -0.022495 -0.005419 0.074758 0.526626 0.116927 -0.023805 0.000746 0.064306 -0.008619 0.114213 0.300300 -0.321490 0.035439 -0.058656 0.008756 0.160875 0.086124 -0.321305 -0.039830 -0.077374 -0.011207 0.025130 0.037224 0.044276 -0.274872 -0.135950 0.209126 -0.028906 -0.018569 -0.059715 0.012080 -0.026982 -0.013103 -0.358250 -0.079313 1.027525 -0.014083 0.005029 -0.043337 -0.111509 0.149271 0.220808 -0.011330 -0.053221 0.051363 -0.171478 -0.276546 -0.363029 0.027848 -0.072025 0.022339 -0.033001 0.018590 0.079126 0.348560 0.144513 -0.168294 -0.002830 -0.009610 -0.005925 -0.019854 -0.021547 0.159444 -0.069059 -0.078653 0.193229 0.011451 -0.094243 0.080569 0.010480 -0.196624 0.528981 0.011753 0.062600 0.061489 -0.057097 -0.108825 -0.263838 0.012844 -0.007600 -0.018618 0.010819 -0.072689 0.008231 0.048786 0.136171 -0.482136 0.030598 -0.032271 0.019741 -0.073156 0.006175 0.017496 0.083624 0.038784 0.094094 -0.022897 0.028148 0.085400 -0.005350 -0.148452 1.096682 -0.007062 0.072688 0.059422 0.051088 0.285148 -0.221191 -0.008805 0.129123 0.046675 -0.019498 -0.021879 0.030781 -0.040576 -0.151326 -0.218680 -0.027525 -0.000503 0.035227 -0.103388 0.007550 -0.311198 0.007747 -0.031471 0.323938 -0.009554 -0.001073 0.039195 -0.139322 0.023350 0.271172 0.003623 -0.018110 0.052513 -0.030216 -0.113641 0.188612 0.001528 0.006192 0.029934 -0.081306 -0.135762 -0.110274 -0.017705 -0.028565 -0.008973 0.018015 -0.018454 0.272503 0.006083 -0.006731 0.022298 0.014239 0.025455 0.036891 -0.022071 0.026913 0.007836 -0.012377 0.045127 -0.043944 -0.013626 0.004628 -0.039114 0.025562 -0.013712 0.052850 0.035782 -0.007580 0.001878 0.004969 -0.030038 0.021930 0.005187 -0.001604 0.013374 -0.016451 -0.033893 -0.011561 0.015916 0.006539 0.067230 0.042855 -0.025137 0.326517 -0.062486 -0.028620 -1.015896 0.007552 0.045819 0.040310 0.011049 -0.029144 0.027770 0.053201 0.079288 -0.808649 -0.027733 0.016875 0.047232 0.076716 0.127049 -0.084553 0.000780 -0.021332 0.000787 0.006577 0.041094 0.006464 0.015140 -0.015191 0.009609 0.021235 0.006366 0.040215 -0.044120 0.050596 -0.153955 0.058491 -0.101174 0.010305 -0.005338 0.005503 0.068060 0.121552 0.067905 -0.236405 0.092906 0.033267 -0.217593 0.016610 -0.001446 -0.043303 -0.108612 0.073750 -0.287782 -0.009421 -0.042148 -0.214093 -0.145785 0.046899 -0.083568 -0.013709 -0.000330 0.057894 0.525492 0.111774 -0.023705 -0.002817 0.055355 -0.005404 0.111352 0.298346 -0.320364 0.029749 -0.045475 0.005755 0.161205 0.086281 -0.319315 -0.035100 -0.068369 -0.002946 0.013174 0.039855 0.035894 -0.274773 -0.135774 0.209133 -0.015231 -0.012130 -0.043249 0.011856 -0.020003 -0.019846 -0.358364 -0.077530 1.041280 -0.007252 0.007036 -0.028417 -0.108123 0.148429 0.218910 0.004737 -0.037644 0.042747 -0.171835 -0.276247 -0.362926 0.030403 -0.064667 0.020475 -0.026890 0.018573 0.063499 0.348223 0.145143 -0.168048 -0.007386 -0.008739 0.001371 -0.023929 -0.012055 0.132075 -0.068471 -0.075842 0.190741 0.009145 -0.076290 0.071081 0.012318 -0.196006 0.529795 0.013046 0.043477 0.043323 -0.058104 -0.108832 -0.263331 0.010919 -0.009426 -0.007668 0.005284 -0.066051 0.012645 0.048620 0.136264 -0.480408 0.025822 -0.022123 0.017235 -0.036956 0.002386 0.017322 0.082672 0.038996 0.088656 -0.016831 0.027233 0.079937 -0.006587 -0.147780 1.095467 -0.011846 0.051882 0.044339 0.051935 0.284894 -0.221170 -0.003547 0.105091 0.042113 -0.017434 -0.018769 0.027786 -0.039939 -0.151911 -0.218791 -0.023248 -0.001606 0.033531 -0.084771 0.004794 -0.257180 -0.033411 -0.025873 0.105598 0.008695 0.022155 0.031968 -0.138748 0.024487 0.270201 0.019521 -0.024063 0.028872 -0.029122 -0.112900 0.188906 -0.014514 -0.000892 0.029464 -0.081792 -0.132954 -0.127968 -0.054359 -0.001760 -0.023136 0.015307 -0.019384 0.269813 0.012419 0.009589 0.034927 -0.052778 -0.015632 0.051387 0.011813 0.016723 0.021344 0.003258 0.010012 0.064966 -0.005068 -0.016342 0.017987 -0.004118 0.009461 0.018916 -0.057458 0.019689 0.054399 -0.015640 -0.018988 0.050110 -0.007948 0.018262 0.004206 0.022265 -0.021093 0.038116 -0.019257 -0.023158 0.038443 0.044411 -0.025347 0.326383 -0.062825 -0.028168 -1.020047 0.004981 0.043655 0.036318 0.004895 -0.019232 0.033706 0.053353 0.078916 -0.807770 -0.012066 -0.017126 0.031303 0.078722 0.124043 -0.071147 -0.002894 -0.016310 -0.005104 0.004957 -0.013861 0.010121 0.015679 -0.017838 0.046706 0.015396 0.017451 0.033988 -0.045600 0.049621 -0.151356 0.061415 -0.104669 0.014452 -0.035143 -0.029151 0.057196 0.115003 0.068925 -0.235255 0.093751 0.033111 -0.216279 0.020160 -0.004904 0.008447 -0.112180 0.081148 -0.279721 -0.011227 -0.050937 -0.207136 -0.136605 0.044088 -0.083308 0.016297 0.014247 0.010474 0.523420 0.107734 -0.024268 -0.001548 0.018428 -0.004889 0.113643 0.295197 -0.312664 0.038492 0.004924 -0.020746 0.162892 0.086288 -0.310750 -0.024819 -0.043357 0.019248 -0.023698 0.049374 0.007587 -0.274305 -0.136127 0.209531 0.029653 0.002139 -0.002056 0.008352 0.000707 -0.035778 -0.359115 -0.071714 1.079399 0.002140 0.005101 0.013519 -0.110438 0.144959 0.209484 0.012767 0.005710 0.016278 -0.172367 -0.275915 -0.363097 0.027825 -0.038231 0.026023 -0.003223 0.016744 0.015683 0.347898 0.146734 -0.167516 -0.018403 -0.002189 -0.000910 -0.035161 0.013849 0.086829 -0.071089 -0.079187 0.184339 0.008027 -0.016710 0.040950 0.018909 -0.197585 0.530584 0.023750 -0.012464 -0.014862 -0.059275 -0.109164 -0.261974 0.002601 -0.012540 0.022807 -0.011919 -0.049116 0.027097 0.048603 0.136920 -0.477201 0.016215 0.014678 0.009589 0.070479 -0.008354 0.013309 0.085412 0.037455 0.071182 -0.007120 0.024221 0.048510 -0.010968 -0.143284 1.090410 -0.029346 -0.002265 0.000099 0.053612 0.283987 -0.221147 0.007674 0.039366 0.025828 -0.008766 -0.012659 0.020625 -0.037797 -0.153712 -0.220425 -0.011259 -0.008414 0.031899 -0.021291 -0.006528 -0.063019 -0.048546 -0.023180 0.024200 0.015365 0.031431 0.028706 -0.138630 0.025235 0.269214 0.024246 -0.026458 0.022835 -0.029105 -0.112496 0.189010 -0.019300 -0.001062 0.027055 -0.081532 -0.131592 -0.134340 -0.067335 0.005592 -0.026814 0.014331 -0.019866 0.268567 0.017520 0.014330 0.040082 -0.079879 -0.030033 0.055075 0.026099 0.011827 0.021529 0.007872 -0.005890 0.103426 -0.002465 -0.027972 0.038909 -0.014792 0.020352 0.004735 -0.090613 0.030934 0.072578 -0.022992 -0.014191 0.060488 -0.013086 0.026190 0.000633 0.036114 -0.014849 0.058169 -0.034689 -0.034900 0.028378 0.045549 -0.025082 0.325571 -0.063205 -0.027939 -1.021635 0.004257 0.043169 0.035023 0.002149 -0.014325 0.036740 0.053258 0.078762 -0.807687 -0.005629 -0.030496 0.024563 0.079786 0.122831 -0.066467 -0.005101 -0.014676 -0.004940 0.004820 -0.033570 0.013440 0.016130 -0.018873 0.060804 0.013747 0.020454 0.029083 -0.046738 0.049327 -0.151127 0.061878 -0.105879 0.016167 -0.046984 -0.041984 0.054029 0.112264 0.069412 -0.235130 0.093983 0.033070 -0.216126 0.022149 -0.006635 0.026231 -0.114269 0.083581 -0.276946 -0.012637 -0.053608 -0.206077 -0.133225 0.042898 -0.083425 0.026537 0.019035 -0.008381 0.522305 0.103155 -0.025059 -0.005724 0.007527 -0.002817 0.111392 0.292676 -0.313100 0.038310 0.019992 -0.026039 0.163109 0.086359 -0.308192 -0.019253 -0.037894 0.028631 -0.035871 0.052885 -0.000032 -0.274447 -0.136049 0.209320 0.046261 0.011294 0.013842 0.007613 0.008324 -0.042597 -0.359358 -0.070087 1.092956 0.010381 0.006858 0.025603 -0.108101 0.143787 0.205106 0.024631 0.019679 0.006873 -0.172841 -0.275887 -0.363382 0.026527 -0.028510 0.023493 0.005584 0.017793 -0.002097 0.347699 0.147455 -0.167599 -0.023882 0.000756 0.006466 -0.040526 0.024137 0.062211 -0.069433 -0.077120 0.180536 0.008586 0.001917 0.032741 0.020939 -0.196735 0.530939 0.027412 -0.030337 -0.031844 -0.060352 -0.109301 -0.261705 0.000815 -0.013042 0.033945 -0.016737 -0.043807 0.033515 0.048431 0.136977 -0.475511 0.012954 0.024699 0.006615 0.105034 -0.009201 0.011399 0.083289 0.037523 0.064814 -0.002021 0.024301 0.042561 -0.012395 -0.142300 1.088034 -0.035064 -0.023294 -0.017535 0.054450 0.283767 -0.221503 0.011878 0.017959 0.021958 -0.006364 -0.013072 0.019174 -0.037193 -0.154598 -0.221012 -0.007437 -0.010088 0.032398 0.002097 -0.011370 0.010746 -0.054895 -0.022621 -0.013310 0.010397 0.023226 0.027581 -0.138576 0.025258 0.268270 0.014166 -0.007197 0.021224 -0.029083 -0.112411 0.189680 -0.013802 -0.006249 0.022600 -0.081565 -0.131591 -0.132791 -0.033207 -0.003717 -0.017722 0.013870 -0.020121 0.269530 0.004892 0.010363 0.034950 -0.038833 -0.027387 0.043549 0.019617 0.007392 0.018991 0.004500 -0.003248 0.096448 -0.001142 -0.017077 0.031901 -0.013225 0.013199 -0.001018 -0.071172 0.023504 0.069843 -0.017091 -0.013729 0.046148 -0.009499 0.018274 0.001826 0.023300 -0.014808 0.055826 -0.028569 -0.025476 0.019846 0.045567 -0.025277 0.326298 -0.063223 -0.027678 -1.022220 0.004628 0.040595 0.036326 0.003396 -0.011763 0.034326 0.053284 0.078798 -0.807472 -0.006960 -0.026460 0.021019 0.079858 0.123649 -0.065997 -0.007265 -0.013462 -0.003093 0.002727 -0.032778 0.008574 0.009973 -0.015550 0.051160 0.009602 0.017638 0.032978 -0.047009 0.049091 -0.150593 0.061606 -0.107294 0.018609 -0.032684 -0.032121 0.048580 0.112115 0.070718 -0.232770 0.094021 0.033297 -0.216217 0.016941 -0.005217 0.027737 -0.113695 0.084119 -0.271888 -0.013802 -0.054790 -0.206037 -0.132450 0.044505 -0.083489 0.025394 0.015115 -0.009108 0.520549 0.106245 -0.023089 -0.007590 -0.000197 -0.002105 0.114162 0.292998 -0.310020 0.023832 0.021991 -0.017012 0.163324 0.086562 -0.306950 -0.018887 -0.027209 0.029358 -0.025137 0.034843 -0.000139 -0.274699 -0.136302 0.208979 0.035061 0.005974 0.016576 0.006839 0.007758 -0.034654 -0.359183 -0.068984 1.098008 0.012842 0.000809 0.029779 -0.111305 0.142861 0.203360 0.004915 0.019763 0.012140 -0.173089 -0.275860 -0.364158 0.027392 -0.021444 0.026716 0.002434 0.013521 -0.000054 0.347551 0.147222 -0.167975 -0.032375 0.001349 0.000495 -0.034874 0.019451 0.060056 -0.069712 -0.081662 0.183860 0.011755 0.006046 0.038724 0.021047 -0.196635 0.531659 0.021164 -0.028923 -0.022550 -0.059996 -0.109418 -0.262203 -0.003831 -0.005438 0.031095 -0.011179 -0.033334 0.037226 0.048345 0.137158 -0.476799 0.009211 0.029188 0.008549 0.070415 -0.008622 0.017546 0.083842 0.036739 0.061031 0.000375 0.024139 0.043377 -0.012106 -0.141013 1.088627 -0.027815 -0.030759 -0.009202 0.053999 0.283721 -0.222035 0.014064 0.012696 0.020264 -0.005998 -0.008319 0.022112 -0.037040 -0.154340 -0.222536 -0.002881 -0.011192 0.030193 0.012474 -0.012103 0.051657 -0.072383 -0.020275 -0.124814 -0.003781 0.010257 0.022591 -0.138347 0.025851 0.265812 -0.011121 0.041498 0.016137 -0.029195 -0.112022 0.192423 0.002392 -0.025846 0.007894 -0.080799 -0.130954 -0.128082 0.068014 -0.030631 0.011028 0.013005 -0.021393 0.272945 -0.027483 -0.001626 0.022871 0.080767 -0.027493 0.000093 0.002536 -0.006392 0.007676 -0.006505 0.001966 0.074380 0.003593 0.010626 0.012548 -0.006806 -0.004407 -0.016948 -0.008364 0.001911 0.060399 0.005354 -0.006678 0.003307 -0.000626 -0.003934 0.005944 -0.017505 -0.012825 0.047829 -0.010943 0.003682 -0.007476 0.046411 -0.026202 0.327390 -0.063372 -0.027032 -1.022709 0.005371 0.033802 0.041786 0.006214 -0.005178 0.028451 0.053579 0.078845 -0.805781 -0.010481 -0.015739 0.010192 0.081302 0.125576 -0.063314 -0.013995 -0.010071 0.003572 -0.003682 -0.030359 -0.004357 -0.008881 -0.006232 0.026472 -0.001505 0.007554 0.041767 -0.048207 0.048459 -0.148922 0.060868 -0.111354 0.026911 0.006453 -0.006018 0.034063 0.111762 0.074465 -0.225169 0.094302 0.034236 -0.215898 0.001231 -0.002025 0.030454 -0.112801 0.085041 -0.255995 -0.018067 -0.057532 -0.206087 -0.130135 0.049005 -0.082513 0.021529 0.005025 -0.009606 0.514860 0.107491 -0.015925 -0.017823 -0.026934 0.002077 0.117558 0.293567 -0.301691 -0.028110 0.027435 0.019102 0.164321 0.087593 -0.301796 -0.022054 0.008123 0.025806 0.011211 -0.019406 -0.001917 -0.275344 -0.136992 0.209320 0.001353 -0.011304 0.024310 0.002511 0.001382 -0.001556 -0.358119 -0.065987 1.114661 0.024509 -0.015828 0.040417 -0.114697 0.139843 0.200376 -0.048463 0.019539 0.035246 -0.173892 -0.275105 -0.364728 0.023655 0.004207 0.026613 -0.005948 -0.004068 0.008762 0.347050 0.146628 -0.167784 -0.054657 0.002758 -0.010260 -0.008486 0.004485 0.033934 -0.069446 -0.087804 0.191131 0.014914 0.019544 0.056703 0.021456 -0.195869 0.535891 -0.001246 -0.022612 0.011775 -0.059450 -0.110220 -0.262183 -0.019784 0.017343 0.020923 0.007224 0.013672 0.042798 0.047972 0.137494 -0.480636 0.003405 0.036545 0.015576 -0.056749 0.001449 0.036309 0.084405 0.035153 0.050921 0.012314 0.025646 0.041483 -0.010911 -0.137644 1.091978 -0.001824 -0.053417 0.022521 0.053274 0.282732 -0.222006 0.018804 -0.011170 0.000708 -0.005926 0.007431 0.032705 -0.036407 -0.153725 -0.225594 0.012334 -0.017178 0.018258 0.046510 -0.010374 0.168502 -0.077805 -0.019314 -0.159415 -0.006799 0.005989 0.019994 -0.138492 0.026079 0.264833 -0.019694 0.054760 0.014805 -0.029225 -0.111806 0.192818 0.006419 -0.030913 0.002615 -0.080733 -0.131178 -0.126236 0.105756 -0.041931 0.021490 0.012491 -0.021619 0.273736 -0.035848 -0.003856 0.020943 0.115913 -0.026340 -0.011103 -0.002744 -0.011217 0.002837 -0.011053 0.001858 0.068514 0.004954 0.017864 0.005373 -0.004318 -0.009416 -0.022905 0.011248 -0.003871 0.056114 0.011585 -0.003931 -0.010898 0.002083 -0.010666 0.007232 -0.030664 -0.009710 0.045799 -0.006668 0.013503 -0.015990 0.046606 -0.026423 0.328525 -0.063583 -0.026611 -1.023094 0.005917 0.031572 0.043112 0.006693 -0.001951 0.026228 0.053598 0.079015 -0.805473 -0.011503 -0.012139 0.006577 0.081531 0.126761 -0.062511 -0.015891 -0.009429 0.006328 -0.005658 -0.029091 -0.008547 -0.013539 -0.002972 0.019616 -0.004153 0.004601 0.042551 -0.048783 0.048359 -0.148364 0.060235 -0.112694 0.029254 0.020015 0.001408 0.027065 0.111505 0.075972 -0.223133 0.094275 0.034634 -0.216020 -0.002898 -0.000147 0.031257 -0.112611 0.085712 -0.251397 -0.019460 -0.058383 -0.207183 -0.129536 0.050631 -0.082480 0.019959 0.002070 -0.009933 0.513128 0.110330 -0.014913 -0.024396 -0.034358 0.004327 0.118954 0.294219 -0.301196 -0.042797 0.029453 0.029739 0.164217 0.088119 -0.300791 -0.022068 0.017929 0.024785 0.019665 -0.034761 -0.000228 -0.275772 -0.136880 0.209378 -0.007246 -0.013685 0.024983 0.000492 -0.000705 0.002986 -0.358075 -0.065060 1.119125 0.031076 -0.018761 0.043080 -0.116917 0.139497 0.198293 -0.064313 0.019521 0.041759 -0.174204 -0.274639 -0.365445 0.023788 0.004562 0.030029 -0.009223 -0.008197 0.014394 0.346863 0.147243 -0.168027 -0.064267 0.003028 -0.006100 -0.002308 0.001061 0.025786 -0.069605 -0.091414 0.193770 0.017496 0.018607 0.063289 0.021588 -0.195886 0.536591 -0.006929 -0.020934 0.021172 -0.060052 -0.110373 -0.262809 -0.023679 0.024412 0.018995 0.014927 0.022802 0.046178 0.047691 0.137672 -0.481741 0.002143 0.037235 0.018711 -0.092648 0.003988 0.042115 0.084872 0.034701 0.048387 0.013162 0.028831 0.042887 -0.010993 -0.137232 1.091620 0.003231 -0.060436 0.028817 0.053507 0.282545 -0.222526 0.020506 -0.016684 -0.002259 -0.006881 0.010512 0.037049 -0.036363 -0.154166 -0.226886 0.016315 -0.017280 0.016791 0.055993 -0.009993 0.204951 -0.029219 -0.016944 0.093394 -0.008433 -0.000556 0.016840 -0.138538 0.026221 0.263854 -0.020137 0.047085 0.010286 -0.029234 -0.111611 0.194009 0.009852 -0.028444 0.002364 -0.080039 -0.131106 -0.126339 0.088790 -0.028327 0.026261 0.012423 -0.021863 0.275187 -0.039628 -0.003956 0.016066 0.105353 -0.018609 -0.017357 -0.007285 -0.012866 -0.000940 -0.010264 0.003947 0.063062 0.006823 0.019748 0.003743 -0.006340 -0.014217 -0.017438 0.023100 -0.008710 0.054028 0.012145 -0.003196 -0.016555 0.005077 -0.011732 0.006477 -0.033419 -0.005825 0.041837 -0.003000 0.018757 -0.018613 0.046862 -0.026637 0.327796 -0.063491 -0.026216 -1.023245 0.005041 0.029527 0.044660 0.007219 0.000439 0.021276 0.053826 0.079108 -0.805265 -0.009297 -0.008820 0.005879 0.081909 0.127701 -0.062478 -0.014532 -0.004719 0.004145 -0.005351 -0.027393 -0.009289 -0.016142 -0.000131 0.011886 -0.006850 0.005088 0.041614 -0.048955 0.048170 -0.148270 0.060548 -0.114269 0.030515 0.023080 0.004912 0.026661 0.112868 0.077706 -0.221792 0.094371 0.035093 -0.216960 -0.005825 -0.003081 0.029881 -0.112524 0.085177 -0.246898 -0.019081 -0.058343 -0.204275 -0.130459 0.051422 -0.081494 0.021772 -0.001834 -0.008864 0.514614 0.109101 -0.012925 -0.024866 -0.041172 0.004600 0.118989 0.294976 -0.299084 -0.033580 0.027722 0.033236 0.164989 0.088284 -0.300395 -0.020866 0.019873 0.024224 0.021215 -0.042450 -0.002586 -0.276178 -0.137036 0.209297 -0.004598 -0.017437 0.025061 -0.002252 -0.001653 0.011758 -0.360150 -0.065038 1.122152 0.030612 -0.022769 0.042179 -0.116849 0.137630 0.195955 -0.065721 0.019088 0.050045 -0.174747 -0.274850 -0.365879 0.022665 0.008419 0.031265 -0.009232 -0.014701 0.019596 0.347134 0.146903 -0.168326 -0.056624 0.000141 -0.009339 0.004544 -0.004597 0.030081 -0.068897 -0.091376 0.195230 0.016495 0.020908 0.063688 0.021471 -0.195815 0.538881 -0.009174 -0.020061 0.024283 -0.058980 -0.110374 -0.263260 -0.019315 0.023379 0.013123 0.014904 0.027680 0.044514 0.047712 0.137811 -0.483673 -0.000127 0.031200 0.019816 -0.104384 0.004670 0.044291 0.084686 0.034760 0.044961 0.012084 0.025468 0.045057 -0.010601 -0.134730 1.091786 0.008401 -0.053030 0.036495 0.052547 0.282813 -0.222923 0.016395 -0.019520 -0.003210 -0.005926 0.016655 0.038069 -0.036254 -0.153610 -0.228618 0.019696 -0.017421 0.014078 0.007156 -0.010534 -0.039149 0.018985 -0.015293 0.352511 -0.008643 -0.007097 0.011716 -0.138625 0.026134 0.263158 -0.020090 0.041649 0.008472 -0.029236 -0.111655 0.195055 0.012277 -0.024701 0.002797 -0.079329 -0.131115 -0.125934 0.073056 -0.019251 0.036373 0.012368 -0.022287 0.276429 -0.042764 -0.003614 0.011889 0.094420 -0.009301 -0.023599 -0.012280 -0.013348 -0.003344 -0.009355 0.004430 0.057015 0.009196 0.020505 0.002112 -0.007834 -0.018155 -0.011788 0.034887 -0.013074 0.049406 0.013185 -0.001072 -0.022776 0.007890 -0.013196 0.006301 -0.035831 -0.000725 0.041124 -0.000335 0.023011 -0.021688 0.047093 -0.027128 0.327435 -0.063484 -0.026091 -1.023043 0.004049 0.027344 0.046785 0.007584 0.002081 0.017021 0.054045 0.078999 -0.804740 -0.007713 -0.005787 0.005158 0.082322 0.128258 -0.061878 -0.012864 -0.000737 0.003345 -0.004961 -0.026170 -0.009294 -0.019058 0.002656 0.005038 -0.008628 0.004708 0.039885 -0.049181 0.047767 -0.147710 0.060933 -0.115972 0.032481 0.025327 0.008472 0.023563 0.114126 0.079150 -0.219928 0.094443 0.035340 -0.217483 -0.007887 -0.005031 0.028894 -0.112434 0.084543 -0.241872 -0.018801 -0.058571 -0.201380 -0.131353 0.052019 -0.079932 0.023718 -0.005624 -0.005773 0.515922 0.107754 -0.010559 -0.024677 -0.046710 0.006360 0.119734 0.295086 -0.296321 -0.027693 0.023580 0.037214 0.165566 0.088417 -0.299829 -0.018230 0.022339 0.022617 0.023844 -0.049990 -0.003700 -0.276118 -0.137316 0.209298 -0.001127 -0.020648 0.024578 -0.004924 -0.003401 0.019967 -0.362041 -0.065209 1.125401 0.029692 -0.023720 0.039741 -0.117377 0.135410 0.193620 -0.064709 0.018924 0.062956 -0.175228 -0.274589 -0.366154 0.019830 0.013873 0.029991 -0.008495 -0.023046 0.023119 0.346885 0.146802 -0.168444 -0.047486 -0.002745 -0.009923 0.010977 -0.011329 0.028858 -0.067874 -0.091684 0.197838 0.016340 0.023499 0.059040 0.021339 -0.195612 0.542025 -0.013446 -0.016682 0.027908 -0.058620 -0.110756 -0.263439 -0.013815 0.022579 0.006853 0.014376 0.033464 0.039661 0.047672 0.137593 -0.485419 -0.003578 0.025357 0.020771 -0.112794 0.005228 0.045028 0.084052 0.034660 0.042791 0.008903 0.024296 0.047989 -0.010256 -0.132589 1.092255 0.014248 -0.043867 0.044394 0.052156 0.282176 -0.223065 0.011517 -0.022544 -0.003307 -0.004828 0.021672 0.036501 -0.036143 -0.153781 -0.230087 0.021806 -0.017191 0.013746 -0.044616 -0.011371 -0.302071 0.018951 -0.014836 0.339080 -0.007251 -0.010154 0.008822 -0.138477 0.025785 0.262736 -0.017872 0.036139 0.006102 -0.029497 -0.111523 0.195741 0.012553 -0.021830 0.004494 -0.079336 -0.131116 -0.126515 0.055264 -0.009364 0.035804 0.012668 -0.022132 0.277101 -0.042682 -0.003213 0.008533 0.075031 -0.003089 -0.023957 -0.014663 -0.013452 -0.003422 -0.007594 0.004449 0.055800 0.009894 0.020618 0.002577 -0.009499 -0.019727 -0.006721 0.034878 -0.015228 0.045150 0.011391 0.000720 -0.023193 0.009240 -0.012240 0.005575 -0.034059 0.001689 0.036534 0.001834 0.023969 -0.020491 0.047000 -0.027295 0.327473 -0.063529 -0.026048 -1.023272 0.002656 0.026338 0.047625 0.008258 0.003143 0.014600 0.054220 0.078999 -0.804713 -0.007119 -0.004676 0.005469 0.082358 0.128665 -0.062111 -0.010187 0.002655 0.001718 -0.004423 -0.024973 -0.008844 -0.019478 0.004165 0.001888 -0.009320 0.005554 0.039187 -0.049090 0.047614 -0.147015 0.061900 -0.116905 0.032840 0.023826 0.008354 0.023734 0.115473 0.080094 -0.219205 0.094516 0.035651 -0.218281 -0.008344 -0.007464 0.027227 -0.112110 0.084505 -0.238767 -0.017654 -0.058983 -0.198515 -0.132413 0.052093 -0.078861 0.026055 -0.007361 -0.003782 0.517081 0.110615 -0.009133 -0.021567 -0.050054 0.007144 0.123555 0.294362 -0.295256 -0.015218 0.021819 0.036843 0.165656 0.088581 -0.300624 -0.020750 0.019573 0.020943 0.023590 -0.050201 -0.004201 -0.276056 -0.137031 0.208805 0.003389 -0.022413 0.024951 -0.006613 -0.003539 0.025416 -0.363244 -0.065134 1.126497 0.026917 -0.024344 0.037676 -0.121123 0.133629 0.189900 -0.065565 0.018060 0.067192 -0.175074 -0.274628 -0.366993 0.021138 0.016696 0.031654 -0.007604 -0.026393 0.025945 0.346847 0.148803 -0.168961 -0.039645 -0.005349 -0.013394 0.012483 -0.015239 0.035272 -0.066690 -0.095033 0.199641 0.016282 0.024727 0.056669 0.021699 -0.194736 0.543443 -0.014399 -0.015739 0.028925 -0.060484 -0.110858 -0.263979 -0.009398 0.021474 0.003209 0.015202 0.030810 0.039639 0.048003 0.137090 -0.487359 -0.005105 0.021996 0.020815 -0.111819 0.004833 0.047012 0.083137 0.034388 0.040427 0.006231 0.022454 0.050185 -0.010412 -0.130540 1.092551 0.015487 -0.036252 0.047342 0.054124 0.282239 -0.223502 0.008483 -0.024463 -0.003242 -0.004666 0.023402 0.038600 -0.036186 -0.155772 -0.231762 0.023350 -0.016211 0.013835 -0.044403 -0.011210 -0.290271 0.017218 -0.014240 0.299042 -0.005534 -0.020721 0.000847 -0.139214 0.026082 0.262142 -0.013039 0.014698 0.010007 -0.029442 -0.111248 0.199356 0.009931 -0.011416 0.007150 -0.077651 -0.131851 -0.123875 -0.000677 0.010794 0.044672 0.012160 -0.022483 0.281217 -0.036466 -0.000975 0.001158 0.015668 0.011798 -0.024240 -0.020159 -0.014277 -0.010131 -0.005486 0.000825 0.045197 0.013490 0.013382 0.002640 -0.013843 -0.021299 0.011039 0.033485 -0.018508 0.034400 0.006343 0.005342 -0.024402 0.012547 -0.009024 0.005054 -0.030815 0.012114 0.026995 0.002261 0.025357 -0.014271 0.047541 -0.027476 0.328166 -0.063333 -0.025073 -1.021870 0.000620 0.023623 0.052729 0.007602 0.007762 0.006807 0.054712 0.079159 -0.803082 -0.001204 -0.001714 0.006114 0.082691 0.130695 -0.060582 -0.003392 0.011385 -0.001528 -0.003416 -0.019795 -0.004050 -0.019217 0.009538 -0.006723 -0.009409 0.006843 0.029638 -0.049482 0.047214 -0.145286 0.061710 -0.119743 0.036123 0.020558 0.009879 0.022530 0.118493 0.083176 -0.215995 0.094436 0.036372 -0.218990 -0.009990 -0.012959 0.025836 -0.112654 0.082972 -0.229437 -0.016136 -0.058223 -0.191774 -0.135252 0.052774 -0.075105 0.027420 -0.014141 0.002850 0.521811 0.104175 -0.003107 -0.025622 -0.055995 0.011308 0.122445 0.295091 -0.298001 0.014820 0.010315 0.043963 0.167292 0.088854 -0.300390 -0.014796 0.020359 0.016456 0.016906 -0.048549 -0.002991 -0.277256 -0.137446 0.209305 0.013763 -0.018182 0.023184 -0.014806 -0.003034 0.040914 -0.368839 -0.065978 1.132186 0.030747 -0.023008 0.025487 -0.119602 0.129028 0.183371 -0.044514 0.017012 0.076723 -0.176958 -0.274973 -0.367135 0.018470 0.024556 0.027823 -0.001732 -0.034630 0.028614 0.347496 0.146058 -0.168527 -0.009600 -0.008219 -0.005945 0.020114 -0.023383 0.027193 -0.064210 -0.091329 0.199675 0.009419 0.023588 0.041669 0.021056 -0.193980 0.551602 -0.019755 -0.008968 0.028912 -0.055369 -0.111050 -0.263948 0.006683 0.012695 -0.007186 0.009587 0.033487 0.025048 0.047801 0.137292 -0.489977 -0.006712 -0.000536 0.023482 -0.090652 0.000498 0.046122 0.080983 0.035171 0.036991 0.001251 0.007129 0.046421 -0.009626 -0.125896 1.093888 0.021470 -0.010852 0.059930 0.048756 0.282540 -0.223365 -0.006343 -0.030510 -0.004561 -0.003204 0.029104 0.034122 -0.036036 -0.152994 -0.233842 0.023264 -0.016425 0.010712 -0.041575 -0.007636 -0.246499 0.015264 -0.012560 0.217151 -0.004066 -0.038879 -0.014595 -0.139536 0.025076 0.261299 0.002126 -0.031811 0.008794 -0.029516 -0.110985 0.204283 0.013346 0.013461 0.018825 -0.076398 -0.130883 -0.124374 -0.105532 0.055454 0.056727 0.012056 -0.022753 0.287050 -0.036768 0.000765 -0.013424 -0.097822 0.044068 -0.019040 -0.031991 -0.014330 -0.019543 -0.002129 -0.002082 0.018132 0.020940 0.004361 0.009988 -0.023811 -0.028374 0.044089 0.030032 -0.025462 0.011451 -0.003583 0.013727 -0.027147 0.019245 -0.004151 0.002899 -0.021328 0.030017 0.006381 0.008959 0.027602 -0.012691 0.047007 -0.029150 0.325057 -0.063171 -0.024406 -1.020924 -0.005915 0.017161 0.062051 0.009141 0.014944 -0.006157 0.055336 0.079116 -0.800520 0.005967 0.005190 0.007806 0.082768 0.131916 -0.058553 0.009299 0.026259 -0.007412 -0.002193 -0.013365 0.001385 -0.023329 0.018315 -0.021193 -0.013593 0.009595 0.018625 -0.049432 0.046122 -0.142168 0.065557 -0.125413 0.041924 0.012945 0.010428 0.018993 0.125000 0.088659 -0.209719 0.094218 0.037452 -0.221234 -0.013329 -0.024971 0.020119 -0.111836 0.080203 -0.211223 -0.011285 -0.058039 -0.176407 -0.141189 0.053605 -0.067284 0.034813 -0.026779 0.014818 0.531191 0.104696 0.008862 -0.019735 -0.068922 0.018347 0.129882 0.297840 -0.274788 0.073651 -0.011748 0.031718 0.169863 0.089731 -0.300840 -0.007971 0.015342 0.004697 0.005313 -0.053506 -0.002017 -0.277419 -0.138392 0.209726 0.038996 -0.034608 0.022943 -0.027256 -0.004048 0.066977 -0.379643 -0.067114 1.141660 0.022869 -0.021754 0.006055 -0.125209 0.118628 0.172574 -0.005426 0.011073 0.100849 -0.179856 -0.274188 -0.368193 0.016267 0.035109 0.014977 0.008794 -0.050473 0.035108 0.346809 0.147428 -0.169252 0.042823 -0.019546 -0.010619 0.038772 -0.048398 0.021114 -0.059534 -0.096601 0.206887 -0.003793 0.029498 0.013940 0.021027 -0.194958 0.567704 -0.030057 0.003697 0.026900 -0.054900 -0.112052 -0.264343 0.038870 0.000770 -0.022814 0.000251 0.039508 0.007069 0.047884 0.137035 -0.497494 -0.015901 -0.019155 0.030251 -0.058021 0.001296 0.049293 0.077410 0.035629 0.028967 -0.004557 -0.012567 0.045006 -0.009537 -0.114759 1.097431 0.031115 0.040652 0.076700 0.047643 0.281040 -0.223689 -0.033540 -0.036754 -0.000428 -0.005954 0.045756 0.029961 -0.036209 -0.154545 -0.240065 0.027904 -0.009371 0.005980 -0.039085 -0.000373 -0.151395 0.014703 -0.012061 0.192321 -0.003383 -0.043488 -0.016914 -0.139775 0.024953 0.260465 0.006578 -0.044185 0.006188 -0.029461 -0.110753 0.205259 0.014970 0.019796 0.023221 -0.075317 -0.131140 -0.123490 -0.134221 0.067020 0.060212 0.012132 -0.022695 0.287697 -0.035778 0.000798 -0.015067 -0.131728 0.054213 -0.017977 -0.035969 -0.014227 -0.023955 -0.000644 -0.005415 0.010608 0.023380 -0.000665 0.009382 -0.025773 -0.028978 0.053412 0.027757 -0.028004 0.003965 -0.006479 0.016307 -0.028405 0.021142 -0.002969 0.002265 -0.017988 0.037620 0.001388 0.009326 0.027300 -0.011060 0.047156 -0.029564 0.325407 -0.063107 -0.023947 -1.020528 -0.007171 0.015535 0.064697 0.008847 0.018080 -0.009891 0.055735 0.079138 -0.799964 0.009004 0.006251 0.008006 0.083442 0.132951 -0.057657 0.013356 0.030839 -0.007526 -0.001116 -0.009517 0.004699 -0.023592 0.021516 -0.025285 -0.013755 0.009484 0.012751 -0.049408 0.045820 -0.141516 0.065790 -0.126979 0.044025 0.011833 0.009227 0.017909 0.126883 0.090349 -0.207957 0.094314 0.038144 -0.222142 -0.014504 -0.028166 0.018505 -0.111940 0.079581 -0.205882 -0.010303 -0.057811 -0.173307 -0.142705 0.053991 -0.065052 0.036036 -0.031107 0.017531 0.532969 0.101793 0.011208 -0.021213 -0.071910 0.019793 0.130699 0.297439 -0.277613 0.089495 -0.017953 0.036893 0.170345 0.090239 -0.301527 -0.008941 0.013431 0.003426 0.001931 -0.053879 0.001617 -0.277221 -0.138178 0.209759 0.047740 -0.032165 0.023445 -0.031105 -0.003617 0.076938 -0.381638 -0.067625 1.144056 0.026760 -0.021587 0.000031 -0.125640 0.116227 0.168312 0.005111 0.011286 0.107207 -0.180171 -0.273645 -0.368366 0.013980 0.038055 0.011874 0.011312 -0.054372 0.040627 0.346527 0.147371 -0.169058 0.053861 -0.020524 -0.005547 0.040275 -0.053311 0.013712 -0.057720 -0.094813 0.209643 -0.007435 0.030301 0.004902 0.021105 -0.194065 0.571002 -0.033527 0.006390 0.026502 -0.054313 -0.112452 -0.264475 0.047283 -0.002779 -0.029507 -0.003535 0.039680 0.000316 0.048210 0.136665 -0.499664 -0.017986 -0.033592 0.031064 -0.047859 -0.000045 0.048692 0.076291 0.036156 0.027304 -0.006659 -0.017550 0.041912 -0.009318 -0.112501 1.097880 0.036059 0.053077 0.081526 0.047157 0.280560 -0.223661 -0.039213 -0.038922 -0.000036 -0.005240 0.051279 0.031706 -0.036438 -0.154487 -0.241307 0.027762 -0.008753 0.003546 -0.037963 0.001534 -0.120469 -0.022950 -0.010293 -0.067221 -0.003973 -0.033629 -0.015485 -0.139869 0.024214 0.260996 0.005721 -0.027353 0.009473 -0.029614 -0.110510 0.204569 0.010788 0.016334 0.022516 -0.077321 -0.133300 -0.119393 -0.093442 0.048819 0.046131 0.012351 -0.021809 0.288091 -0.027516 0.001637 -0.010455 -0.092706 0.041010 -0.003515 -0.032119 -0.014708 -0.012711 -0.002104 -0.014902 0.011095 0.017546 0.000119 0.006673 -0.019648 -0.021421 0.048806 0.016264 -0.022626 0.003031 -0.009766 0.017737 -0.021066 0.017747 -0.007207 0.002074 -0.013976 0.037501 0.007282 0.006629 0.021373 -0.001865 0.045861 -0.030298 0.327312 -0.062895 -0.023688 -1.021169 -0.006916 0.016218 0.066198 0.007904 0.018293 -0.009881 0.055805 0.079141 -0.799987 0.007111 0.002137 0.006572 0.082393 0.134197 -0.056314 0.014030 0.025294 -0.003720 -0.005437 -0.006682 0.001831 -0.018283 0.020942 -0.023881 -0.013627 0.004783 0.008903 -0.048908 0.045843 -0.140606 0.065400 -0.127448 0.042805 0.006862 0.007038 0.017445 0.127105 0.090660 -0.208091 0.094091 0.038612 -0.222875 -0.015219 -0.022004 0.013755 -0.111008 0.080472 -0.204076 -0.008679 -0.058941 -0.177188 -0.142643 0.053738 -0.065161 0.028888 -0.029595 0.012389 0.532592 0.111569 0.014268 -0.024463 -0.070550 0.022508 0.141046 0.298193 -0.277933 0.082537 -0.015533 0.031294 0.170678 0.090543 -0.303150 -0.011264 0.016258 0.006604 0.000354 -0.047684 0.000552 -0.277441 -0.138118 0.209631 0.036161 -0.034849 0.026511 -0.030613 -0.002540 0.070201 -0.381960 -0.066757 1.145192 0.032547 -0.022206 0.003922 -0.136153 0.115502 0.165739 -0.012317 0.005316 0.092761 -0.180783 -0.272880 -0.369714 0.014576 0.034460 0.013730 0.004889 -0.046154 0.037499 0.346255 0.146548 -0.169439 0.043810 -0.016006 0.004921 0.035782 -0.039124 0.009539 -0.058466 -0.104142 0.211747 -0.007769 0.030744 0.001275 0.022618 -0.194978 0.571731 -0.031619 0.003595 0.023300 -0.053203 -0.112435 -0.264960 0.039895 0.002000 -0.021798 -0.006214 0.034336 0.000631 0.047982 0.136962 -0.502822 -0.019636 -0.029286 0.033156 -0.033298 -0.000456 0.045943 0.077307 0.035013 0.028453 -0.005421 -0.015970 0.036283 -0.010873 -0.112505 1.100985 0.032267 0.047779 0.071974 0.045707 0.280132 -0.223972 -0.033852 -0.037113 0.001813 -0.006637 0.042531 0.028543 -0.036574 -0.153494 -0.242140 0.024062 -0.008035 0.005785 0.003615 -0.000361 0.136153 -0.058244 -0.008591 -0.313060 -0.004092 -0.026100 -0.013772 -0.139688 0.024147 0.261191 0.003526 -0.010661 0.012947 -0.030287 -0.110418 0.206184 0.005967 0.013318 0.025716 -0.077411 -0.132811 -0.115630 -0.049132 0.034616 0.035340 0.012994 -0.021798 0.289358 -0.026603 0.000970 -0.006614 -0.058145 0.030913 0.011715 -0.028387 -0.014391 -0.000984 -0.003300 -0.018661 0.009137 0.011625 0.001379 0.006657 -0.016442 -0.017385 0.045707 0.004098 -0.016754 0.002202 -0.012337 0.018734 -0.012959 0.014949 -0.011126 0.003260 -0.009321 0.031587 0.010954 0.008672 0.014334 0.004452 0.045984 -0.029953 0.325010 -0.062887 -0.023873 -1.021481 -0.006955 0.017396 0.069333 0.008756 0.017777 -0.007587 0.055913 0.079115 -0.799516 0.004001 -0.001093 0.006346 0.082689 0.133382 -0.056535 0.014353 0.019805 0.001039 -0.009224 -0.004396 0.000254 -0.012658 0.019640 -0.019869 -0.016325 0.000354 0.013691 -0.048693 0.045810 -0.141179 0.065466 -0.127474 0.043067 0.002635 0.005201 0.016715 0.127598 0.090432 -0.207286 0.094077 0.038743 -0.223084 -0.016552 -0.018966 0.010792 -0.111923 0.078854 -0.201021 -0.008875 -0.058158 -0.177254 -0.142579 0.053056 -0.064680 0.024311 -0.026128 0.009849 0.532648 0.104088 0.016762 -0.014181 -0.062335 0.022204 0.136825 0.295817 -0.274591 0.070227 -0.013269 0.022559 0.170757 0.090402 -0.304573 -0.017285 0.021224 0.007912 -0.002431 -0.040048 0.000461 -0.277811 -0.137699 0.209556 0.019703 -0.035345 0.028016 -0.027767 -0.001763 0.062323 -0.382077 -0.067840 1.146252 0.023545 -0.022528 0.006781 -0.131738 0.113257 0.162629 -0.025550 -0.002844 0.073680 -0.180825 -0.273589 -0.369351 0.017899 0.034363 0.014840 -0.002897 -0.034692 0.032386 0.346339 0.148094 -0.169615 0.037176 -0.007505 -0.002079 0.031090 -0.023374 0.015359 -0.055541 -0.097007 0.209596 -0.008099 0.029109 -0.007194 0.022943 -0.192816 0.572875 -0.028793 0.001020 0.018999 -0.054522 -0.112191 -0.264522 0.029509 0.003298 -0.012778 -0.009214 0.027333 -0.001001 0.048198 0.136368 -0.503066 -0.021930 -0.022615 0.032801 -0.014203 -0.000590 0.042419 0.074292 0.036073 0.027024 -0.006056 -0.018675 0.025731 -0.010721 -0.110187 1.103393 0.029719 0.039596 0.059669 0.047249 0.280629 -0.224010 -0.028833 -0.038971 0.005306 -0.005913 0.030940 0.021265 -0.036557 -0.155031 -0.242946 0.020977 -0.009498 0.007557 0.046294 -0.002027 0.388965 -0.048547 -0.008274 -0.257379 -0.004246 -0.019821 -0.010341 -0.139692 0.023822 0.261518 0.001477 0.003605 0.012648 -0.030505 -0.110295 0.206687 0.001692 0.012101 0.024953 -0.077652 -0.133621 -0.111878 -0.018108 0.020506 0.025993 0.013310 -0.021513 0.289859 -0.022235 -0.000895 -0.002896 -0.027448 0.020777 0.022051 -0.025091 -0.014383 0.006983 -0.004788 -0.023876 0.012478 0.007247 0.000379 0.005454 -0.012000 -0.012575 0.040769 -0.001306 -0.012437 0.005042 -0.013478 0.018740 -0.006144 0.011816 -0.013840 0.004537 -0.007399 0.029639 0.018459 0.006816 0.008528 0.011123 0.045887 -0.030126 0.325349 -0.062864 -0.023853 -1.021627 -0.006767 0.018403 0.071478 0.008206 0.017574 -0.005489 0.056018 0.078967 -0.799230 0.002689 -0.004453 0.005563 0.082893 0.133414 -0.054921 0.014204 0.015518 0.005420 -0.011549 -0.002583 0.000303 -0.008086 0.018080 -0.015954 -0.016402 -0.002723 0.013805 -0.048470 0.045738 -0.140987 0.064977 -0.127537 0.043399 -0.001474 0.004744 0.017166 0.127772 0.090191 -0.206832 0.094075 0.038930 -0.223299 -0.016758 -0.014767 0.009511 -0.112362 0.078473 -0.198848 -0.008790 -0.058200 -0.179175 -0.142442 0.052576 -0.064222 0.019404 -0.024128 0.006442 0.532273 0.101501 0.018658 -0.013999 -0.055170 0.022816 0.136384 0.295111 -0.278814 0.057495 -0.010605 0.020834 0.170868 0.090362 -0.306096 -0.021136 0.023759 0.008166 -0.004063 -0.034693 0.000304 -0.277915 -0.137583 0.209695 0.006646 -0.030240 0.028128 -0.025153 -0.000845 0.053551 -0.381802 -0.068411 1.146897 0.020720 -0.018891 0.008831 -0.131058 0.112050 0.160123 -0.033536 -0.008487 0.062029 -0.180960 -0.273746 -0.369322 0.018549 0.030426 0.012548 -0.007112 -0.025702 0.026129 0.346197 0.148510 -0.169483 0.029738 -0.000490 0.003488 0.026381 -0.011528 0.009825 -0.055480 -0.094384 0.209543 -0.008470 0.028975 -0.012904 0.023602 -0.192560 0.574049 -0.027837 -0.002091 0.017156 -0.054707 -0.112105 -0.264273 0.020299 0.005419 -0.004630 -0.011705 0.023958 -0.003844 0.048333 0.136186 -0.504842 -0.021134 -0.022348 0.031798 -0.001003 -0.001284 0.037295 0.074195 0.036493 0.028130 -0.002740 -0.021853 0.015911 -0.011049 -0.109726 1.105825 0.025668 0.034228 0.049514 0.047518 0.280662 -0.223919 -0.021810 -0.037943 0.006117 -0.004823 0.022063 0.013291 -0.036644 -0.155582 -0.242937 0.019634 -0.010116 0.007738 0.039619 -0.004124 0.344906 -0.019370 -0.007470 -0.088937 -0.004924 -0.000571 0.000257 -0.139507 0.022816 0.262684 -0.004602 0.045256 0.008655 -0.031105 -0.110018 0.207650 -0.006365 0.006032 0.029583 -0.078430 -0.134860 -0.102212 0.075948 -0.015348 -0.001308 0.014461 -0.020439 0.291366 -0.007466 -0.002955 0.005517 0.066582 -0.008419 0.052120 -0.012649 -0.013847 0.033202 -0.009249 -0.038087 0.018985 -0.004966 -0.000051 0.005671 -0.000107 0.000043 0.027667 -0.017829 0.001513 0.015289 -0.016932 0.018704 0.014612 0.003768 -0.022164 0.007615 0.000895 0.021729 0.036715 0.003698 -0.008759 0.029855 0.045019 -0.030883 0.323912 -0.062691 -0.023979 -1.022600 -0.006329 0.021305 0.077273 0.008143 0.016306 0.000678 0.056318 0.078834 -0.798330 -0.003565 -0.013239 0.003593 0.083456 0.132600 -0.051442 0.012477 0.000986 0.018280 -0.018832 0.001737 -0.000554 0.004891 0.012745 -0.004784 -0.017988 -0.012111 0.016028 -0.047347 0.045749 -0.141008 0.064554 -0.127495 0.043824 -0.014572 -0.000779 0.018380 0.128237 0.089511 -0.205741 0.094041 0.039458 -0.223838 -0.017102 -0.001594 0.004689 -0.113427 0.076994 -0.193173 -0.008364 -0.058056 -0.183586 -0.141826 0.051135 -0.063245 0.005297 -0.016664 -0.003808 0.531300 0.096110 0.022765 -0.008764 -0.037584 0.026323 0.135890 0.294014 -0.278675 0.019583 -0.000627 0.006211 0.171006 0.090511 -0.312512 -0.029318 0.033153 0.013799 -0.008033 -0.019433 -0.002704 -0.277943 -0.136655 0.209896 -0.029760 -0.026785 0.028320 -0.015443 0.002866 0.030594 -0.380964 -0.069614 1.148102 0.008957 -0.006488 0.015536 -0.130285 0.108751 0.151712 -0.060418 -0.024440 0.035859 -0.181292 -0.273579 -0.369323 0.021258 0.020641 0.009785 -0.021127 -0.000980 0.012675 0.345734 0.150000 -0.169590 0.006855 0.019808 0.009893 0.013263 0.025661 0.007154 -0.055135 -0.088495 0.207992 -0.009101 0.024744 -0.024647 0.025724 -0.192808 0.575948 -0.021413 -0.011606 0.009940 -0.055028 -0.111851 -0.263758 -0.006284 0.009695 0.019683 -0.019162 0.008158 -0.008165 0.048654 0.135519 -0.509276 -0.021813 -0.005400 0.027751 0.036359 -0.006974 0.025224 0.074095 0.037488 0.029491 -0.001857 -0.028004 -0.009175 -0.012259 -0.107745 1.113056 0.017102 0.011123 0.016036 0.048199 0.280320 -0.223818 0.000923 -0.033737 0.010404 -0.001676 -0.005348 -0.001468 -0.036812 -0.157036 -0.243729 0.010099 -0.011987 0.008759 0.006640 -0.007049 0.174398 0.037899 -0.007672 0.262940 -0.003591 0.041825 0.016329 -0.139283 0.020154 0.266084 -0.018252 0.132420 0.010328 -0.033329 -0.109487 0.209925 -0.018070 -0.008507 0.035999 -0.080521 -0.137028 -0.082942 0.258442 -0.088299 -0.060164 0.016745 -0.018213 0.295320 0.016352 -0.003420 0.023275 0.262733 -0.074443 0.115956 0.007831 -0.011875 0.085348 -0.018384 -0.065011 0.034129 -0.029208 -0.001778 0.008450 0.021722 0.024569 0.002361 -0.049329 0.031384 0.034881 -0.025028 0.018212 0.057001 -0.014444 -0.038612 0.015912 0.019198 0.001176 0.072221 -0.000519 -0.040869 0.065816 0.042753 -0.032400 0.320201 -0.062760 -0.024587 -1.024118 -0.006241 0.026517 0.089559 0.006752 0.013037 0.012858 0.056231 0.078051 -0.796239 -0.017260 -0.031500 0.000201 0.083878 0.130161 -0.044273 0.008005 -0.028402 0.044370 -0.033113 0.008346 -0.001082 0.030503 0.001986 0.018263 -0.020619 -0.032797 0.024406 -0.045330 0.045352 -0.141215 0.063510 -0.127620 0.045844 -0.039581 -0.009989 0.020392 0.128538 0.087810 -0.202533 0.093437 0.040380 -0.224422 -0.020232 0.022621 -0.004075 -0.116005 0.073410 -0.181055 -0.008061 -0.057778 -0.191057 -0.140890 0.048028 -0.060360 -0.019360 -0.000131 -0.021508 0.529340 0.081381 0.031476 0.014801 0.002916 0.025307 0.130278 0.289622 -0.273992 -0.076770 0.012895 -0.022828 0.170870 0.090124 -0.323895 -0.042351 0.050724 0.024126 -0.016837 0.018024 -0.003185 -0.278973 -0.135361 0.211076 -0.102117 -0.023387 0.025474 -0.003348 0.008673 -0.014132 -0.380003 -0.073060 1.150893 -0.015469 0.018193 0.031418 -0.123786 0.101296 0.139505 -0.102381 -0.052741 -0.051209 -0.182204 -0.274372 -0.368119 0.030804 0.001964 -0.000838 -0.047827 0.047654 -0.013270 0.344878 0.153308 -0.169253 -0.042908 0.058815 0.014904 -0.014219 0.099294 0.018154 -0.053447 -0.073523 0.204983 -0.009981 0.018127 -0.052560 0.028870 -0.191609 0.580385 -0.011490 -0.030246 -0.004839 -0.057684 -0.111366 -0.261893 -0.056868 0.021585 0.064216 -0.030151 -0.020407 -0.018528 0.048532 0.133722 -0.516569 -0.020989 0.026691 0.020028 0.113120 -0.011417 -0.006169 0.071729 0.040051 0.033829 0.002005 -0.042387 -0.059748 -0.014397 -0.103417 1.127293 -0.003543 -0.031818 -0.042171 0.050681 0.280082 -0.223075 0.043634 -0.025528 0.016599 0.006098 -0.059684 -0.026891 -0.037120 -0.160908 -0.244722 -0.008583 -0.016223 0.011496 -0.047312 -0.012708 -0.186601 -0.003906 -0.007822 0.006928 -0.005126 0.008565 0.007162 -0.139432 0.021577 0.264399 -0.007576 0.070306 0.010402 -0.031867 -0.110110 0.208070 -0.008415 0.002032 0.034116 -0.079409 -0.135436 -0.096976 0.124528 -0.033037 -0.014783 0.015419 -0.019994 0.292781 -0.003523 -0.003711 0.011824 0.115816 -0.025946 0.070644 -0.007053 -0.013467 0.049140 -0.011323 -0.043613 0.022946 -0.011924 0.000838 0.007992 0.004984 0.006011 0.020904 -0.026748 0.009610 0.021137 -0.018933 0.018067 0.026427 -0.001985 -0.027669 0.010489 0.005517 0.013950 0.046332 0.003705 -0.018464 0.038709 0.044009 -0.031690 0.323134 -0.062659 -0.024408 -1.022481 -0.006875 0.022166 0.081682 0.008272 0.015052 0.004839 0.056283 0.078334 -0.797259 -0.006456 -0.017982 0.003128 0.083408 0.131405 -0.048713 0.011185 -0.007547 0.026371 -0.022741 0.001265 -0.000423 0.011346 0.008950 0.002460 -0.019754 -0.016987 0.021152 -0.046696 0.045326 -0.140201 0.064916 -0.127836 0.045549 -0.021751 -0.003952 0.020282 0.128630 0.088838 -0.203668 0.093889 0.039670 -0.223406 -0.017954 0.003685 0.005313 -0.113840 0.075891 -0.188533 -0.008074 -0.058490 -0.183815 -0.141897 0.050138 -0.061559 0.000971 -0.011998 -0.007550 0.530988 0.093728 0.026309 0.003820 -0.025203 0.024675 0.136035 0.291642 -0.272339 -0.009292 0.001122 -0.007189 0.171185 0.090202 -0.315653 -0.030826 0.036149 0.017423 -0.011098 -0.007521 -0.001429 -0.278281 -0.136992 0.210459 -0.052446 -0.026243 0.025299 -0.008784 0.004783 0.016113 -0.381185 -0.071038 1.149551 -0.004052 -0.000245 0.018720 -0.129505 0.106198 0.153047 -0.069882 -0.034751 0.001510 -0.181781 -0.273989 -0.368592 0.021081 0.013374 0.002751 -0.026335 0.016720 0.002215 0.345600 0.149974 -0.169151 -0.007719 0.026505 0.007573 0.003276 0.048545 0.011618 -0.053918 -0.086738 0.209294 -0.009321 0.024295 -0.036290 0.026708 -0.191542 0.578093 -0.015860 -0.015468 0.002938 -0.055192 -0.112006 -0.262850 -0.021986 0.015404 0.033084 -0.020933 0.002277 -0.009877 0.048559 0.135043 -0.510690 -0.019957 0.007710 0.022465 0.061831 -0.008033 0.013913 0.072669 0.037903 0.032996 0.000688 -0.030493 -0.028707 -0.012799 -0.105976 1.117359 0.009729 -0.000575 -0.004636 0.048296 0.279849 -0.223238 0.014602 -0.029556 0.011159 0.002156 -0.021899 -0.007668 -0.036774 -0.157677 -0.243460 0.002214 -0.007849 0.007290 -0.008467 -0.009145 0.070964 0.005356 -0.007405 0.068571 -0.002828 0.008657 0.008776 -0.139531 0.021658 0.263886 -0.005364 0.055594 0.010184 -0.032046 -0.109855 0.208277 -0.008612 0.001908 0.027843 -0.078685 -0.135798 -0.097254 0.104851 -0.026381 -0.013414 0.015410 -0.019557 0.292687 -0.000974 -0.003808 0.012873 0.094768 -0.024651 0.063803 -0.006452 -0.010491 0.043910 -0.011129 -0.038942 0.025272 -0.010315 -0.003499 0.010891 0.003469 0.007218 0.015087 -0.022775 0.007985 0.018977 -0.016300 0.014638 0.026282 -0.003651 -0.022593 0.010048 0.004217 0.013934 0.041874 0.001134 -0.016340 0.037751 0.044125 -0.031481 0.322182 -0.062773 -0.024236 -1.023072 -0.007655 0.022799 0.081532 0.006022 0.014438 0.004727 0.056263 0.078525 -0.797765 -0.005288 -0.017422 0.002039 0.083597 0.131480 -0.047908 0.010596 -0.006038 0.024114 -0.020263 0.000878 0.001379 0.011484 0.006651 0.002339 -0.018290 -0.014879 0.017672 -0.046608 0.045566 -0.140675 0.065020 -0.127589 0.045406 -0.018404 -0.003292 0.015664 0.128856 0.088976 -0.204091 0.093806 0.039902 -0.224335 -0.014980 0.004414 0.004373 -0.114209 0.075851 -0.188174 -0.007716 -0.058115 -0.183204 -0.142567 0.050101 -0.060557 0.001297 -0.010250 -0.007976 0.532686 0.090717 0.025379 -0.000075 -0.025109 0.023963 0.133243 0.292016 -0.274943 0.000156 0.001960 -0.001434 0.171152 0.090407 -0.316841 -0.029554 0.033485 0.015308 -0.012751 -0.009594 0.000282 -0.278323 -0.136244 0.210124 -0.044994 -0.023365 0.024066 -0.011464 0.004218 0.017527 -0.382408 -0.070936 1.148439 -0.001020 0.000722 0.020348 -0.126984 0.105895 0.147870 -0.062745 -0.029422 0.009687 -0.181908 -0.273889 -0.368931 0.026276 0.013017 0.009209 -0.025305 0.014683 0.006076 0.345593 0.151450 -0.169754 -0.001181 0.028441 0.009306 0.003609 0.041956 0.015286 -0.053786 -0.082932 0.207879 -0.008233 0.023206 -0.031645 0.026465 -0.192269 0.578651 -0.017431 -0.017715 0.005606 -0.056079 -0.111767 -0.263277 -0.017829 0.009652 0.031581 -0.019227 0.003489 -0.009303 0.048564 0.134895 -0.512048 -0.019001 0.004927 0.024706 0.052808 -0.008443 0.017373 0.072395 0.038308 0.032136 0.000262 -0.030394 -0.023995 -0.012838 -0.105418 1.116530 0.008095 0.002427 -0.002306 0.049091 0.280220 -0.223804 0.011775 -0.030759 0.011211 0.000446 -0.019186 -0.005357 -0.036888 -0.158644 -0.244195 0.004282 -0.010663 0.007873 -0.019728 -0.007891 0.011422 0.032963 -0.007488 0.257717 0.005625 0.007527 0.013959 -0.139615 0.020443 0.264647 -0.003552 0.020692 0.007412 -0.032509 -0.109740 0.208449 -0.007042 0.000059 0.015864 -0.077363 -0.137207 -0.097173 0.037672 -0.007308 -0.011021 0.016161 -0.018464 0.293147 0.007042 -0.000945 0.014903 0.030559 -0.022528 0.048165 -0.002526 -0.002529 0.032066 -0.007802 -0.023807 0.029001 -0.005048 -0.013075 0.022290 -0.000878 0.008823 -0.000308 -0.010959 0.002082 0.013091 -0.008932 0.003608 0.027400 -0.008208 -0.010446 0.011874 -0.000117 0.013078 0.029718 -0.005440 -0.009706 0.035883 0.043244 -0.031985 0.321279 -0.062680 -0.024230 -1.023136 -0.010911 0.022998 0.083673 0.000267 0.011611 0.005651 0.056421 0.078345 -0.797749 -0.000907 -0.014488 0.000428 0.083872 0.130622 -0.043265 0.008618 -0.002640 0.019828 -0.012818 -0.005034 0.007753 0.010300 -0.001408 0.003852 -0.014436 -0.007606 0.010619 -0.045646 0.045477 -0.139298 0.066832 -0.127735 0.047949 -0.011312 -0.003832 0.006920 0.130241 0.088911 -0.202323 0.093754 0.040341 -0.225293 -0.006165 0.004531 0.006479 -0.114066 0.075829 -0.183894 -0.005640 -0.058632 -0.177982 -0.144939 0.049594 -0.055077 0.003172 -0.009180 -0.005491 0.538164 0.089521 0.025694 -0.003175 -0.016530 0.020650 0.132659 0.290207 -0.272329 0.015156 0.002056 0.006415 0.171941 0.090428 -0.322166 -0.029578 0.023240 0.013258 -0.016326 -0.011175 0.004773 -0.278168 -0.135768 0.209816 -0.026196 -0.016262 0.017352 -0.013296 0.002670 0.014966 -0.386447 -0.071284 1.147725 0.000402 0.003102 0.026344 -0.125252 0.103892 0.141643 -0.029339 -0.014102 0.015438 -0.182868 -0.274106 -0.369078 0.031608 0.010582 0.010702 -0.014366 0.015465 0.008484 0.345810 0.152594 -0.170279 0.014737 0.026450 0.014353 -0.002405 0.020702 0.018792 -0.051724 -0.080581 0.209801 -0.004383 0.022338 -0.020998 0.026787 -0.192646 0.583808 -0.014755 -0.017102 0.009503 -0.055890 -0.111735 -0.263408 -0.007345 -0.006097 0.029166 -0.012756 0.008926 -0.003542 0.048895 0.134492 -0.514752 -0.010318 0.005971 0.021954 0.026887 -0.006980 0.012870 0.070432 0.038140 0.036136 -0.002898 -0.027975 -0.019494 -0.013447 -0.103180 1.116937 0.001243 0.011010 -0.000856 0.048825 0.280344 -0.224052 0.006241 -0.025699 0.008441 -0.002104 -0.022049 -0.004950 -0.037027 -0.159731 -0.244771 0.002701 -0.010405 0.005568 -0.049663 -0.003278 -0.177920 0.089585 -0.008640 0.653835 0.020530 0.004541 0.028347 -0.140048 0.017895 0.266878 0.000361 -0.053347 -0.002955 -0.033605 -0.109708 0.209363 -0.002931 -0.001956 -0.005608 -0.075360 -0.139666 -0.097180 -0.096187 0.035177 -0.007877 0.017320 -0.016325 0.295225 0.015592 -0.001858 0.018075 -0.104341 -0.016998 0.011739 0.005303 0.014523 0.009502 -0.000140 0.008520 0.037296 0.004919 -0.030192 0.045494 -0.010132 0.012940 -0.031221 0.014705 -0.008199 -0.000149 0.007234 -0.018649 0.029057 -0.017600 0.014223 0.015852 -0.008791 0.009689 0.005134 -0.017889 0.003261 0.031675 0.041005 -0.033111 0.319626 -0.062697 -0.024420 -1.022738 -0.017915 0.023218 0.088168 -0.010765 0.005989 0.007962 0.056477 0.078057 -0.797267 0.007206 -0.008015 -0.002606 0.083810 0.128507 -0.033730 0.004493 0.004162 0.012196 0.001483 -0.017557 0.020320 0.007927 -0.017825 0.006979 -0.007916 0.006044 -0.000252 -0.043894 0.045298 -0.136281 0.070483 -0.128051 0.053243 0.002384 -0.006925 -0.009874 0.132807 0.088691 -0.198285 0.093345 0.041145 -0.226697 0.011958 0.005081 0.014857 -0.113574 0.075720 -0.175114 -0.001374 -0.059703 -0.167055 -0.149906 0.048536 -0.043701 0.007289 -0.002948 -0.001047 0.548781 0.090366 0.026785 -0.002973 -0.000026 0.016805 0.133294 0.288031 -0.263429 0.040075 0.003467 0.020073 0.172866 0.090351 -0.332125 -0.021076 -0.001397 0.010418 -0.025266 -0.014011 0.014503 -0.277914 -0.134711 0.209563 0.014462 -0.001699 0.000685 -0.009677 -0.000133 0.003961 -0.394578 -0.071543 1.146133 -0.002630 0.012808 0.034053 -0.123696 0.099782 0.132738 0.043163 0.016916 0.026460 -0.184691 -0.274210 -0.369058 0.040680 0.000114 0.013279 0.006866 0.016801 0.020831 0.345827 0.155361 -0.170765 0.048261 0.015153 0.019214 -0.013901 -0.022570 0.019995 -0.048688 -0.079370 0.212474 0.000629 0.020395 0.002109 0.027365 -0.194965 0.594073 -0.006883 -0.016376 0.016827 -0.056760 -0.111630 -0.263217 0.011854 -0.039233 0.024921 0.002381 0.022077 0.009587 0.049039 0.133398 -0.520538 0.008052 0.011026 0.013488 -0.019795 -0.003617 0.010275 0.067160 0.037121 0.043220 -0.010092 -0.020209 -0.009834 -0.015160 -0.098575 1.117495 -0.015946 0.029456 -0.007210 0.049052 0.280093 -0.224091 -0.004466 -0.017113 0.004419 -0.003081 -0.024657 -0.004677 -0.037321 -0.162375 -0.245629 -0.000395 -0.003516 0.003164 -0.115967 0.002101 -0.578165 0.052596 -0.007878 0.395833 0.010001 0.006171 0.020008 -0.139932 0.019624 0.265998 -0.001378 -0.002376 0.005172 -0.032893 -0.109757 0.209155 -0.005614 -0.000877 0.008901 -0.076723 -0.138314 -0.095815 -0.006100 0.005572 -0.011960 0.016429 -0.017803 0.294338 0.010666 -0.000982 0.016930 -0.018444 -0.022980 0.034084 0.000404 0.003611 0.024210 -0.005116 -0.012772 0.032878 -0.001516 -0.019964 0.029973 -0.004186 0.010622 -0.011402 -0.002090 -0.001686 0.008775 -0.003318 -0.004347 0.028289 -0.011282 -0.001250 0.014026 -0.003886 0.011955 0.022463 -0.010883 -0.005452 0.035485 0.042464 -0.032388 0.321958 -0.062687 -0.024302 -1.022455 -0.013149 0.023150 0.085931 -0.004371 0.009449 0.006893 0.056417 0.078255 -0.797157 0.002155 -0.012366 -0.000649 0.083707 0.130044 -0.039087 0.007272 -0.000345 0.018175 -0.008158 -0.008816 0.012928 0.009634 -0.007290 0.005204 -0.011723 -0.003107 0.006317 -0.045131 0.045432 -0.137865 0.067549 -0.127826 0.050402 -0.006369 -0.006258 0.001813 0.131027 0.088840 -0.200302 0.093529 0.040627 -0.225292 -0.000316 0.004442 0.009495 -0.113937 0.075788 -0.180226 -0.004201 -0.058950 -0.174162 -0.146712 0.049207 -0.050492 0.003680 -0.007316 -0.003571 0.541077 0.089688 0.026416 -0.002809 -0.007227 0.019007 0.133704 0.289750 -0.272903 0.023107 0.002416 0.012803 0.172132 0.090474 -0.324811 -0.024136 0.013360 0.010331 -0.019009 -0.011018 0.010431 -0.278234 -0.135410 0.210033 -0.009584 -0.005655 0.009666 -0.011136 0.000773 0.009480 -0.388629 -0.071320 1.147767 -0.001648 0.006338 0.026455 -0.124946 0.102871 0.140149 -0.003548 -0.000967 0.014339 -0.183442 -0.273957 -0.368932 0.032895 0.006215 0.012491 -0.005629 0.016574 0.012973 0.345857 0.153163 -0.169857 0.026156 0.020811 0.018594 -0.006386 0.004203 0.016703 -0.051461 -0.080368 0.211407 -0.002355 0.019207 -0.013940 0.026839 -0.193601 0.587725 -0.011010 -0.014769 0.010501 -0.056233 -0.111773 -0.262848 -0.001876 -0.018818 0.026313 -0.007413 0.013078 0.002496 0.048652 0.134148 -0.516377 -0.003449 0.003813 0.018260 0.008124 -0.005814 0.012068 0.069915 0.037612 0.039224 -0.005922 -0.024315 -0.017278 -0.013929 -0.102239 1.117992 -0.005013 0.017552 -0.005375 0.048759 0.280058 -0.223695 0.002808 -0.020736 0.006873 -0.001574 -0.022749 -0.004459 -0.037012 -0.160282 -0.244605 0.001428 -0.007170 0.001586 -0.072483 -0.001301 -0.322202 0.046027 -0.007055 0.349584 0.011909 0.006153 0.019288 -0.139761 0.019189 0.265884 -0.000645 -0.009993 0.003790 -0.033004 -0.109681 0.209052 -0.005210 -0.002403 0.005640 -0.076848 -0.138126 -0.097256 -0.020033 0.009732 -0.011608 0.016746 -0.017304 0.294192 0.010950 -0.000261 0.014455 -0.030160 -0.021703 0.028700 0.000196 0.004922 0.022757 -0.004496 -0.008725 0.031241 -0.000684 -0.019056 0.032711 -0.005391 0.010021 -0.012988 -0.000360 -0.002768 0.006086 -0.001764 -0.006408 0.027217 -0.011410 0.001062 0.013751 -0.004329 0.010604 0.017928 -0.010808 -0.003968 0.033182 0.041982 -0.032402 0.320564 -0.062666 -0.024333 -1.023088 -0.014346 0.023145 0.085757 -0.004542 0.008354 0.006751 0.056471 0.078286 -0.797564 0.001945 -0.010614 -0.000949 0.083566 0.129603 -0.039066 0.006347 0.000323 0.016550 -0.006870 -0.011111 0.012618 0.008267 -0.008833 0.004579 -0.011106 -0.001280 0.005538 -0.044796 0.045488 -0.137551 0.069062 -0.127812 0.050303 -0.004584 -0.005153 -0.000498 0.131442 0.088888 -0.200115 0.093596 0.040824 -0.225791 0.001360 0.004145 0.009667 -0.113425 0.076206 -0.179598 -0.003329 -0.059413 -0.172709 -0.147220 0.049237 -0.049701 0.005212 -0.006480 -0.002830 0.542308 0.094384 0.026972 -0.001160 -0.009416 0.019947 0.137363 0.289612 -0.263766 0.027960 0.002388 0.006581 0.172132 0.090491 -0.326985 -0.023994 0.012288 0.011397 -0.020416 -0.013061 0.010523 -0.278036 -0.135151 0.209618 -0.006482 -0.014060 0.010035 -0.012290 0.001075 0.011606 -0.389564 -0.070808 1.147430 -0.000246 0.006300 0.029076 -0.128710 0.102473 0.138346 -0.001377 0.000411 0.019555 -0.183538 -0.274148 -0.369511 0.034265 0.006491 0.014189 -0.005752 0.016556 0.015399 0.345834 0.154627 -0.170744 0.030358 0.021325 0.016765 -0.006896 0.002576 0.023105 -0.050579 -0.084443 0.212161 -0.001626 0.020011 -0.011545 0.027271 -0.193780 0.588328 -0.011864 -0.015621 0.012594 -0.057328 -0.111593 -0.263474 0.000023 -0.021002 0.026580 -0.007277 0.014314 0.002537 0.049031 0.133987 -0.517551 -0.003562 0.012516 0.019079 0.005494 -0.005806 0.013172 0.069272 0.037168 0.038805 -0.006643 -0.024135 -0.014841 -0.014380 -0.101284 1.117947 -0.005461 0.021049 -0.002999 0.049922 0.280401 -0.224152 0.001552 -0.022272 0.007456 -0.002339 -0.023405 -0.002486 -0.037156 -0.161497 -0.245479 0.003166 -0.008062 0.001831 -0.066566 -0.002201 -0.273976 0.024519 -0.004856 0.202603 0.015433 0.004539 0.021494 -0.140160 0.018958 0.265632 -0.000124 -0.032698 -0.001803 -0.033200 -0.109519 0.208988 -0.002411 0.000265 -0.005599 -0.075137 -0.140358 -0.094856 -0.057139 0.022783 -0.006152 0.016849 -0.016891 0.293929 0.016025 -0.000349 0.016697 -0.066870 -0.017377 0.014381 0.002420 0.008533 0.011208 -0.002573 -0.001072 0.032100 0.002629 -0.027707 0.032466 -0.006163 0.012599 -0.021274 0.004233 -0.005913 -0.000721 0.003075 -0.012637 0.025569 -0.013804 0.009424 0.014995 -0.006644 0.011918 0.008841 -0.015684 0.000359 0.032243 0.042091 -0.032812 0.322215 -0.062579 -0.024075 -1.022971 -0.015106 0.023520 0.087199 -0.009758 0.007503 0.006999 0.056560 0.078196 -0.797963 0.006489 -0.008474 -0.003001 0.084221 0.130291 -0.034812 0.005993 0.003538 0.015016 -0.001097 -0.010774 0.019144 0.008629 -0.012803 0.005768 -0.007824 0.001825 -0.002242 -0.044430 0.045539 -0.137774 0.067677 -0.127837 0.052201 0.000540 -0.005487 -0.007588 0.132102 0.088792 -0.199178 0.093437 0.041181 -0.226978 0.005901 0.006033 0.011509 -0.114201 0.075697 -0.177462 -0.003173 -0.058783 -0.171677 -0.148752 0.049150 -0.047117 0.004104 -0.004956 -0.000652 0.544946 0.084773 0.025954 -0.007718 -0.009637 0.022335 0.129702 0.289758 -0.282896 0.035800 0.002554 0.030947 0.173096 0.090661 -0.329326 -0.025283 0.006927 0.010208 -0.021206 -0.016009 0.013894 -0.277989 -0.135009 0.209428 0.001247 0.002093 0.008167 -0.012592 0.000161 0.010166 -0.391651 -0.072077 1.146349 0.004862 0.006335 0.031377 -0.119969 0.101841 0.135816 0.014639 0.008756 0.024392 -0.184205 -0.273858 -0.369653 0.040568 0.005621 0.016588 -0.003425 0.015464 0.022537 0.345872 0.152811 -0.170684 0.037825 0.017871 0.027090 -0.009771 -0.007906 0.016307 -0.050501 -0.074468 0.213148 -0.000216 0.020567 -0.006160 0.026215 -0.194783 0.590575 -0.010687 -0.016730 0.016020 -0.054600 -0.111792 -0.263602 0.005929 -0.027976 0.025878 -0.003191 0.019635 0.007676 0.048960 0.134128 -0.520211 0.000400 -0.004479 0.019448 -0.006011 -0.005948 0.014313 0.069182 0.038377 0.040948 -0.010280 -0.022519 -0.012110 -0.013398 -0.101466 1.117925 -0.008386 0.025451 -0.002302 0.047058 0.280105 -0.224610 -0.001130 -0.022238 0.007410 -0.003860 -0.022606 -0.000017 -0.037240 -0.159794 -0.245194 0.003157 -0.007573 0.003534 -0.042247 -0.002287 -0.123043 -0.016819 -0.000981 -0.073416 0.022508 0.000042 0.029002 -0.140234 0.016976 0.267400 0.001907 -0.070623 -0.002484 -0.034089 -0.109740 0.209429 -0.002911 -0.004036 -0.014517 -0.074064 -0.140739 -0.095799 -0.131898 0.045212 -0.001159 0.017911 -0.015762 0.295130 0.013616 -0.001612 0.018439 -0.134081 -0.005854 -0.005017 0.005820 0.017784 0.000711 0.001681 0.024558 0.028644 0.008161 -0.030883 0.046205 -0.013448 0.010781 -0.035729 0.013324 -0.012845 -0.012507 0.011936 -0.025191 0.023259 -0.016535 0.020609 0.016810 -0.012546 0.002939 -0.013196 -0.018189 0.008784 0.023235 0.040443 -0.033777 0.318896 -0.062716 -0.024577 -1.022655 -0.020172 0.023108 0.090498 -0.014018 0.002210 0.007412 0.056533 0.077814 -0.797327 0.008212 -0.002046 -0.003100 0.084245 0.127862 -0.030023 0.001907 0.007378 0.009197 0.006602 -0.019581 0.023236 0.003740 -0.022162 0.006160 -0.006268 0.010145 -0.002774 -0.043361 0.045157 -0.135364 0.071421 -0.128268 0.055736 0.010143 -0.005626 -0.018869 0.133598 0.088529 -0.195324 0.093208 0.041563 -0.227289 0.015953 0.005812 0.015627 -0.113746 0.075523 -0.171198 -0.000841 -0.059910 -0.162670 -0.151844 0.048541 -0.039782 0.006512 -0.000694 0.004407 0.551685 0.086838 0.026349 -0.003503 0.003245 0.017319 0.130648 0.287344 -0.261929 0.042822 -0.000120 0.028564 0.173321 0.090474 -0.335457 -0.019825 -0.007948 0.005922 -0.022544 -0.016652 0.020733 -0.277905 -0.134536 0.209397 0.025759 -0.000671 -0.006191 -0.009154 -0.003268 0.006064 -0.396804 -0.072525 1.145214 -0.003494 0.010484 0.035627 -0.119805 0.099144 0.129097 0.061424 0.027850 0.034318 -0.185335 -0.274275 -0.369197 0.041560 -0.004093 0.014981 0.009469 0.014755 0.029781 0.345907 0.156251 -0.171266 0.054214 0.011027 0.016924 -0.013732 -0.036827 0.024445 -0.047066 -0.075407 0.215592 0.003796 0.016694 0.008549 0.026063 -0.195617 0.598428 -0.002799 -0.011892 0.021776 -0.057087 -0.111898 -0.263322 0.022400 -0.044968 0.018240 0.007204 0.023977 0.016607 0.048996 0.133097 -0.523468 0.015575 0.011241 0.010010 -0.038349 -0.000509 0.013192 0.065574 0.037294 0.047058 -0.015408 -0.014538 -0.003832 -0.014293 -0.097673 1.117864 -0.018515 0.029763 -0.005607 0.049123 0.279840 -0.224367 -0.010008 -0.012687 0.002539 -0.006932 -0.022465 0.001606 -0.037388 -0.163311 -0.245997 0.000056 -0.001912 0.001779 0.002746 -0.001943 0.163424 -0.005251 -0.002558 0.009273 0.019918 0.000617 0.028267 -0.140421 0.017530 0.267899 0.000600 -0.057931 -0.001120 -0.034326 -0.109932 0.210673 -0.002610 -0.005527 -0.005001 -0.074191 -0.139415 -0.094390 -0.108994 0.039629 -0.000230 0.017443 -0.016631 0.296069 0.009801 -0.001967 0.018824 -0.110444 -0.010748 0.006058 0.003893 0.015011 0.004946 0.000171 0.019664 0.029516 0.006030 -0.028739 0.044903 -0.012010 0.009503 -0.030480 0.009940 -0.010609 -0.008592 0.008735 -0.021746 0.025164 -0.015630 0.016124 0.017381 -0.010830 0.002773 -0.007119 -0.015673 0.006056 0.025604 0.041042 -0.033545 0.318826 -0.063156 -0.024902 -1.022010 -0.019033 0.023072 0.091161 -0.012258 0.003039 0.007953 0.056168 0.077747 -0.796369 0.005969 -0.004204 -0.001303 0.084368 0.127392 -0.030677 0.002569 0.005694 0.011935 0.004023 -0.018005 0.021797 0.004642 -0.019446 0.006859 -0.008814 0.007352 0.003351 -0.044178 0.045067 -0.135540 0.070432 -0.128244 0.055947 0.007049 -0.006351 -0.014068 0.132746 0.088379 -0.195112 0.093001 0.041157 -0.226084 0.012659 0.005158 0.015660 -0.114763 0.074743 -0.171551 -0.002396 -0.059427 -0.162878 -0.151082 0.048316 -0.040633 0.005783 -0.001648 0.004167 0.550242 0.082010 0.026459 0.001505 0.009330 0.012264 0.125365 0.287540 -0.261511 0.033101 0.000307 0.026041 0.172553 0.090216 -0.333171 -0.015749 -0.006956 0.004577 -0.020595 -0.012375 0.020798 -0.278294 -0.134512 0.210288 0.023238 0.004594 -0.008171 -0.005495 -0.002737 0.000441 -0.395993 -0.073140 1.146236 -0.007845 0.013391 0.031017 -0.115919 0.099266 0.129879 0.057552 0.022680 0.027782 -0.185196 -0.274551 -0.368019 0.034735 -0.003465 0.011161 0.011065 0.015477 0.022778 0.345686 0.157029 -0.170344 0.047976 0.011244 0.010837 -0.014089 -0.035089 0.021018 -0.047475 -0.071500 0.213838 0.002878 0.013785 0.006639 0.025526 -0.195394 0.598511 -0.000258 -0.010971 0.017066 -0.058654 -0.111946 -0.262315 0.019027 -0.043361 0.016464 0.007765 0.020989 0.015450 0.048553 0.132737 -0.521197 0.014851 0.009924 0.005733 -0.035279 0.000283 0.006546 0.065108 0.037731 0.045794 -0.013077 -0.012608 -0.005935 -0.014213 -0.097916 1.117531 -0.019361 0.023985 -0.009742 0.050270 0.279760 -0.223521 -0.008921 -0.010101 0.001279 -0.005611 -0.022011 -0.001701 -0.037499 -0.164393 -0.245333 -0.001660 -0.001462 0.001086 -0.006738 -0.000236 0.084371 -0.000530 -0.002918 0.039567 0.019577 0.001664 0.026641 -0.140306 0.017839 0.267267 0.000299 -0.054052 -0.001251 -0.034016 -0.109794 0.210133 -0.002440 -0.004641 -0.005397 -0.074243 -0.139632 -0.095195 -0.100752 0.037118 0.000081 0.017393 -0.016602 0.295506 0.010341 -0.001505 0.018061 -0.103171 -0.011560 0.007154 0.003670 0.014102 0.005864 -0.000041 0.016864 0.029859 0.005427 -0.028549 0.042475 -0.011142 0.009821 -0.029366 0.008891 -0.009742 -0.007383 0.007908 -0.020186 0.025111 -0.015218 0.014867 0.016755 -0.010036 0.003852 -0.004905 -0.015273 0.005344 0.026300 0.041431 -0.033257 0.318924 -0.062932 -0.024642 -1.022343 -0.018358 0.023282 0.089944 -0.011684 0.003903 0.007501 0.056335 0.077910 -0.796968 0.006431 -0.004709 -0.002039 0.084404 0.128022 -0.032036 0.003342 0.005525 0.011851 0.003440 -0.016685 0.021156 0.005494 -0.018437 0.006363 -0.009047 0.006630 0.002585 -0.044125 0.045215 -0.136460 0.069954 -0.128097 0.054850 0.006184 -0.006022 -0.013456 0.132796 0.088522 -0.196314 0.093166 0.041242 -0.226568 0.011560 0.004962 0.014763 -0.114590 0.074773 -0.173166 -0.002424 -0.059028 -0.164646 -0.150678 0.048580 -0.042208 0.005414 -0.001869 0.002842 0.549152 0.081352 0.025797 0.000718 0.003906 0.014920 0.125202 0.287869 -0.265872 0.036860 0.000515 0.025962 0.172743 0.090331 -0.331672 -0.017706 -0.003027 0.005936 -0.020849 -0.014688 0.020068 -0.278418 -0.134750 0.209978 0.018720 0.001757 -0.003834 -0.007649 -0.001952 0.004189 -0.395022 -0.073066 1.145783 -0.006641 0.011435 0.031537 -0.115305 0.099712 0.132016 0.046855 0.019175 0.026333 -0.184892 -0.274607 -0.368338 0.037354 -0.000924 0.013339 0.006864 0.015296 0.025009 0.346060 0.155810 -0.170500 0.047569 0.011555 0.011282 -0.013775 -0.028947 0.024325 -0.048048 -0.070792 0.213228 0.002744 0.015284 0.003649 0.025575 -0.194980 0.596042 -0.003591 -0.012729 0.017048 -0.057529 -0.111802 -0.262674 0.015426 -0.039791 0.018886 0.005607 0.021890 0.014277 0.048639 0.133317 -0.520934 0.010815 0.007410 0.009551 -0.028945 -0.001469 0.010769 0.066021 0.038223 0.044426 -0.012894 -0.015584 -0.007514 -0.013742 -0.098272 1.117489 -0.016473 0.026106 -0.007475 0.049492 0.280131 -0.223936 -0.006939 -0.013703 0.002839 -0.005248 -0.021939 -0.000194 -0.037297 -0.162939 -0.245307 -0.000447 -0.002385 0.000902 -0.013456 -0.000837 0.050816 -0.002130 -0.002659 0.027366 0.020103 0.001743 0.026044 -0.140242 0.017622 0.267312 0.000716 -0.057380 -0.002399 -0.033944 -0.109761 0.209810 -0.002117 -0.004992 -0.008127 -0.074431 -0.139958 -0.095370 -0.106065 0.038227 -0.000006 0.017524 -0.016363 0.295395 0.012423 -0.001331 0.017431 -0.107949 -0.010731 0.004109 0.004142 0.014479 0.005099 0.000130 0.016856 0.029696 0.005947 -0.028695 0.042725 -0.011031 0.010469 -0.030342 0.009413 -0.010032 -0.008144 0.008441 -0.020704 0.024742 -0.015329 0.015603 0.016658 -0.010149 0.004530 -0.005916 -0.016077 0.005721 0.026214 0.041100 -0.033412 0.319252 -0.062780 -0.024628 -1.022523 -0.018617 0.023227 0.089863 -0.012078 0.003449 0.007269 0.056417 0.077885 -0.797078 0.006800 -0.004003 -0.002689 0.084191 0.128128 -0.031823 0.002896 0.005695 0.010948 0.004248 -0.016857 0.021229 0.005060 -0.019048 0.006029 -0.007947 0.007242 0.000221 -0.043873 0.045226 -0.136049 0.070341 -0.128100 0.054788 0.006572 -0.006038 -0.014175 0.132937 0.088497 -0.196239 0.093194 0.041285 -0.226695 0.012588 0.005698 0.014458 -0.114162 0.075174 -0.172924 -0.001945 -0.059422 -0.164742 -0.150772 0.048591 -0.041969 0.005340 -0.001593 0.002844 0.549246 0.083926 0.026093 -0.001550 0.002211 0.016098 0.127873 0.288023 -0.264995 0.038488 0.000512 0.025301 0.172922 0.090483 -0.332449 -0.017889 -0.002837 0.006298 -0.020997 -0.015424 0.019868 -0.278259 -0.134812 0.209894 0.019532 0.000086 -0.003268 -0.008508 -0.001935 0.005292 -0.395037 -0.072741 1.145760 -0.004627 0.011121 0.032103 -0.117595 0.099874 0.131041 0.047668 0.020148 0.029551 -0.185014 -0.274173 -0.368722 0.037358 -0.001048 0.014531 0.006192 0.015132 0.026665 0.346046 0.155545 -0.170685 0.048742 0.012391 0.014698 -0.013895 -0.028573 0.023647 -0.048027 -0.073261 0.213958 0.002129 0.016474 0.002976 0.025805 -0.195208 0.595998 -0.004180 -0.013059 0.017536 -0.057046 -0.111944 -0.262886 0.016326 -0.039563 0.019925 0.004030 0.021676 0.014091 0.048593 0.133374 -0.521548 0.010793 0.008782 0.010983 -0.027828 -0.000982 0.012894 0.066200 0.037854 0.044979 -0.013118 -0.016172 -0.007237 -0.013851 -0.098558 1.117915 -0.016330 0.027214 -0.006569 0.049039 0.279733 -0.224066 -0.006969 -0.014291 0.003303 -0.005410 -0.022025 0.000782 -0.037135 -0.162659 -0.245491 0.000089 -0.003579 0.001642 -0.012688 -0.001354 0.061799 -0.003947 -0.002495 0.015397 0.017800 0.000468 0.024316 -0.140317 0.017667 0.266959 0.000290 -0.051399 -0.002260 -0.034127 -0.109767 0.209737 -0.002302 -0.005683 -0.007367 -0.074078 -0.139636 -0.094766 -0.096886 0.033449 -0.000494 0.017613 -0.016454 0.294991 0.009652 -0.001373 0.016541 -0.094946 -0.007885 0.003758 0.003576 0.013515 0.005510 -0.000088 0.017993 0.027527 0.005124 -0.026472 0.040115 -0.010231 0.009190 -0.028446 0.008882 -0.009572 -0.008268 0.007746 -0.020059 0.023032 -0.013921 0.014323 0.016635 -0.009393 0.002014 -0.006756 -0.014161 0.005332 0.024387 0.041238 -0.033443 0.318082 -0.062880 -0.024650 -1.022915 -0.018818 0.023412 0.090410 -0.011393 0.002779 0.006991 0.056380 0.077886 -0.797353 0.005335 -0.002859 -0.002306 0.084591 0.127802 -0.031972 0.002467 0.005422 0.011297 0.003737 -0.015793 0.020527 0.004362 -0.018334 0.005864 -0.008579 0.006418 0.002177 -0.043965 0.045237 -0.136615 0.070288 -0.128027 0.054874 0.006492 -0.005722 -0.014010 0.132911 0.088402 -0.195836 0.093143 0.041417 -0.227069 0.011433 0.005927 0.013322 -0.114636 0.074760 -0.172490 -0.002560 -0.059098 -0.164486 -0.150920 0.048593 -0.042253 0.004513 -0.001064 0.003824 0.549086 0.080727 0.025652 -0.000456 0.002136 0.016035 0.124694 0.287740 -0.264865 0.034858 0.000371 0.025602 0.172851 0.090399 -0.333269 -0.020664 -0.001586 0.005928 -0.020445 -0.015566 0.020447 -0.278364 -0.134696 0.209599 0.016847 -0.001174 -0.003099 -0.008470 -0.002318 0.006251 -0.395110 -0.073236 1.145393 -0.006456 0.010375 0.032345 -0.114250 0.099609 0.130613 0.042922 0.019353 0.030777 -0.185053 -0.274499 -0.368756 0.039034 -0.001197 0.015479 0.005188 0.014674 0.027616 0.345995 0.155881 -0.170996 0.047412 0.012364 0.012258 -0.012805 -0.026951 0.028139 -0.047556 -0.070039 0.213439 0.002291 0.015694 0.003242 0.025316 -0.194906 0.596096 -0.003953 -0.013132 0.018053 -0.057217 -0.111857 -0.263127 0.015417 -0.037997 0.018834 0.004653 0.022048 0.014602 0.048606 0.133232 -0.522266 0.011718 0.009391 0.011641 -0.027244 -0.000967 0.013621 0.065554 0.038351 0.044857 -0.013154 -0.015882 -0.006584 -0.013452 -0.098043 1.117952 -0.015819 0.024921 -0.005335 0.049166 0.279954 -0.224349 -0.006865 -0.014551 0.003574 -0.005732 -0.021722 0.001868 -0.037272 -0.162939 -0.245810 0.000814 -0.003740 0.002648 -0.011509 -0.002437 0.075288 -0.008944 -0.001989 -0.018944 0.011767 -0.002932 0.019889 -0.140341 0.017473 0.266700 0.000201 -0.035109 -0.002665 -0.034450 -0.109647 0.209541 -0.002979 -0.007400 -0.007133 -0.073743 -0.139592 -0.092370 -0.066247 0.020641 -0.001413 0.018007 -0.016314 0.294446 0.004268 -0.001637 0.013070 -0.059053 -0.003427 -0.002448 0.002058 0.010399 0.008337 -0.000867 0.019067 0.022242 0.002890 -0.019806 0.032136 -0.008404 0.006753 -0.022329 0.007439 -0.008358 -0.007826 0.005858 -0.017823 0.018147 -0.009917 0.010707 0.016680 -0.007213 -0.003142 -0.007557 -0.011269 0.004259 0.021195 0.041352 -0.033659 0.316415 -0.062881 -0.024631 -1.023686 -0.019066 0.023866 0.092045 -0.010097 0.000609 0.005766 0.056380 0.077862 -0.797811 0.002192 0.000396 -0.001573 0.085165 0.127611 -0.031681 0.000811 0.004269 0.011960 0.002811 -0.012696 0.018354 0.002652 -0.016888 0.004803 -0.009241 0.004272 0.004849 -0.043839 0.045335 -0.137113 0.070293 -0.127886 0.055295 0.006383 -0.004245 -0.013644 0.132871 0.088235 -0.194278 0.093039 0.041815 -0.227797 0.007477 0.006712 0.009110 -0.115108 0.074579 -0.170900 -0.003498 -0.058918 -0.164770 -0.151162 0.048754 -0.042866 0.001165 0.000552 0.006333 0.548329 0.077516 0.024954 -0.001404 0.001773 0.018295 0.120811 0.287450 -0.263754 0.024202 0.000551 0.027504 0.172875 0.090585 -0.334620 -0.024400 0.001678 0.003916 -0.018917 -0.016552 0.022068 -0.278643 -0.134603 0.209348 0.009539 -0.004527 -0.003267 -0.009121 -0.004005 0.009617 -0.394833 -0.074145 1.144983 -0.006864 0.007984 0.033253 -0.109904 0.099520 0.129709 0.030961 0.013206 0.030812 -0.185400 -0.274501 -0.368861 0.042391 -0.000305 0.015864 0.002298 0.013702 0.030628 0.346066 0.155615 -0.171435 0.039782 0.013031 0.011583 -0.010602 -0.023864 0.033385 -0.046489 -0.066584 0.214152 0.002535 0.012189 0.003282 0.024145 -0.194500 0.597294 -0.002598 -0.011839 0.021998 -0.056395 -0.111913 -0.263386 0.013453 -0.031973 0.015425 0.002223 0.022083 0.015433 0.048434 0.133197 -0.524434 0.013003 0.011208 0.012115 -0.025689 -0.000636 0.015676 0.064298 0.039103 0.046162 -0.015411 -0.015709 -0.004596 -0.012365 -0.097485 1.119459 -0.014293 0.019643 -0.001973 0.048212 0.279889 -0.224639 -0.006123 -0.013940 0.004171 -0.005999 -0.020919 0.004321 -0.037242 -0.162493 -0.246106 0.000533 -0.004404 0.002000 -0.008156 -0.003094 0.111157 -0.019559 -0.001446 -0.087606 -0.001498 -0.009268 0.015745 -0.140024 0.016187 0.268221 -0.002922 -0.001829 0.000627 -0.035006 -0.109513 0.210475 -0.005173 -0.010723 -0.003768 -0.075571 -0.143317 -0.084962 -0.010660 -0.009074 0.004964 0.018959 -0.015114 0.296095 0.001226 -0.000403 0.014731 0.007516 0.001115 -0.001860 -0.000152 0.002760 0.013322 -0.003383 0.014918 0.017912 -0.000167 -0.009602 0.017137 0.000985 0.005891 -0.008283 0.004763 -0.004789 -0.005709 0.002469 -0.012973 0.011283 -0.001196 0.002886 0.017292 -0.003167 -0.008048 -0.004918 -0.008020 0.000804 0.020257 0.039791 -0.034165 0.321164 -0.062581 -0.024625 -1.022811 -0.018356 0.023707 0.095112 -0.008409 -0.003784 0.003348 0.056578 0.077594 -0.797428 -0.001956 0.005227 -0.000044 0.084169 0.129652 -0.030231 -0.001428 0.000917 0.015789 0.000666 -0.004353 0.013461 -0.000460 -0.012486 0.001170 -0.006692 -0.002683 0.002386 -0.042940 0.045346 -0.134689 0.069661 -0.128245 0.057018 0.006325 -0.001803 -0.010585 0.132707 0.088168 -0.189477 0.092957 0.042144 -0.227570 0.000382 0.012642 0.001731 -0.113598 0.076868 -0.167158 -0.002887 -0.060723 -0.168458 -0.151127 0.049238 -0.042444 -0.009446 0.003587 0.010237 0.546305 0.093488 0.027523 -0.012099 0.004378 0.019668 0.134349 0.286571 -0.265001 -0.009716 -0.000858 0.033890 0.172988 0.090559 -0.336670 -0.025492 0.006996 0.001859 -0.004207 -0.008360 0.020014 -0.278193 -0.133978 0.210019 -0.011757 -0.006394 -0.005478 -0.008202 -0.007340 0.009029 -0.393040 -0.073724 1.145353 0.001432 0.004799 0.029901 -0.123232 0.100973 0.129702 0.006513 -0.000067 0.018555 -0.185209 -0.274209 -0.369681 0.035591 -0.000141 0.014571 -0.006925 0.005109 0.029188 0.345812 0.156988 -0.171383 0.016301 0.015709 0.021759 -0.004281 -0.010422 0.015636 -0.044558 -0.081657 0.219996 0.004427 0.003892 0.003208 0.022958 -0.194123 0.602005 0.002542 -0.006237 0.021879 -0.058021 -0.111883 -0.263284 0.006579 -0.017203 0.006214 -0.001488 0.014284 0.011919 0.048768 0.132597 -0.526644 0.012607 0.009298 0.008168 -0.017320 0.001206 0.006531 0.063360 0.037155 0.048648 -0.014394 -0.009384 0.002831 -0.011216 -0.100010 1.122468 -0.009311 0.000747 0.002135 0.049925 0.279871 -0.223877 -0.004042 -0.012226 0.005186 -0.006105 -0.012040 0.006020 -0.037453 -0.164104 -0.245479 0.001753 -0.005540 0.000124 0.001278 -0.005407 0.172020 -0.040325 -0.000048 -0.220780 -0.026367 -0.022368 0.001894 -0.139712 0.014762 0.269183 -0.006370 0.064976 0.000077 -0.036126 -0.109224 0.210313 -0.006491 -0.020232 0.006860 -0.074754 -0.144462 -0.073538 0.096428 -0.061270 0.015216 0.020959 -0.014236 0.295797 -0.019066 -0.001183 0.011628 0.145613 0.015683 -0.007128 -0.006223 -0.010719 0.022908 -0.007493 0.018410 0.002645 -0.006271 0.016298 -0.012124 0.013686 -0.002891 0.018244 -0.001539 0.001713 -0.003380 -0.005330 -0.003612 -0.005687 0.015130 -0.013482 0.018781 0.002890 -0.027151 -0.006177 0.007594 -0.005845 0.011540 0.039298 -0.035425 0.318170 -0.062469 -0.024954 -1.023845 -0.018482 0.024446 0.102497 -0.003975 -0.012078 -0.001300 0.056774 0.077221 -0.797620 -0.014150 0.018408 0.003400 0.085996 0.129345 -0.027804 -0.007647 -0.004657 0.020289 -0.002976 0.009368 0.005364 -0.008009 -0.005625 -0.001772 -0.008180 -0.013006 0.014034 -0.041994 0.045429 -0.134736 0.069637 -0.128209 0.060205 0.005376 0.002402 -0.005887 0.132681 0.087617 -0.181111 0.092852 0.043234 -0.228675 -0.013548 0.020663 -0.012583 -0.114567 0.076532 -0.159613 -0.005815 -0.060718 -0.168773 -0.151581 0.049958 -0.042805 -0.024898 0.011253 0.021579 0.542476 0.089693 0.025679 -0.011148 0.006755 0.023674 0.127377 0.284943 -0.258012 -0.072498 -0.005310 0.033378 0.172913 0.091124 -0.343932 -0.027854 0.014556 -0.003871 0.018637 -0.000355 0.023426 -0.278452 -0.132964 0.209917 -0.041948 -0.016144 -0.009106 -0.003930 -0.012293 0.013554 -0.390467 -0.076930 1.144555 -0.003300 -0.000783 0.026459 -0.114979 0.101137 0.125852 -0.041708 -0.025653 0.009864 -0.185276 -0.273970 -0.369831 0.034156 -0.004598 0.018453 -0.023229 -0.008504 0.034359 0.345939 0.158927 -0.172631 -0.026771 0.020479 0.009979 0.005063 0.012908 0.019820 -0.040678 -0.077122 0.225118 0.005207 -0.011372 0.003342 0.018375 -0.192799 0.609753 0.010158 0.004717 0.024339 -0.058668 -0.112210 -0.263743 -0.009035 0.011725 -0.012222 -0.006291 0.002628 0.006753 0.048421 0.131534 -0.533745 0.015173 0.015265 0.003617 -0.003382 0.004398 0.001331 0.059773 0.038557 0.055888 -0.010317 0.002984 0.014194 -0.006463 -0.099158 1.128551 -0.002686 -0.037029 0.013180 0.050835 0.279186 -0.223994 0.000534 -0.004776 0.007280 -0.004244 0.001248 0.016630 -0.037188 -0.165765 -0.246025 -0.000415 -0.010325 -0.001989 0.015330 -0.011028 0.294872 -0.031905 -0.000930 -0.164959 -0.016257 -0.016784 0.009019 -0.139972 0.015085 0.269655 -0.005559 0.037261 0.001647 -0.035891 -0.109556 0.211129 -0.006758 -0.016736 0.006026 -0.075182 -0.143958 -0.077633 0.050536 -0.039089 0.011249 0.020248 -0.014809 0.296703 -0.010652 -0.000214 0.015392 0.087633 0.010096 -0.005126 -0.004153 -0.005572 0.019715 -0.005683 0.015743 0.010249 -0.003602 0.005097 0.000742 0.008903 0.000794 0.008374 0.001153 -0.001132 -0.003835 -0.002401 -0.007489 0.002551 0.007744 -0.006770 0.019488 -0.000051 -0.018918 -0.004707 0.000850 -0.004152 0.017003 0.039514 -0.035162 0.320658 -0.062599 -0.024992 -1.022626 -0.018669 0.023907 0.100553 -0.006426 -0.008474 0.001481 0.056655 0.077177 -0.796738 -0.007537 0.012532 0.002995 0.085102 0.129076 -0.027108 -0.005139 -0.001898 0.018981 -0.001336 0.002354 0.010472 -0.004527 -0.008887 0.000520 -0.007557 -0.007532 0.010316 -0.042504 0.045188 -0.133557 0.069572 -0.128400 0.060240 0.005550 0.000206 -0.007166 0.132723 0.087699 -0.183486 0.092807 0.042735 -0.227383 -0.007478 0.016876 -0.004384 -0.114178 0.076582 -0.161473 -0.004761 -0.061111 -0.167210 -0.151611 0.049491 -0.040829 -0.017207 0.006936 0.018131 0.543359 0.092229 0.026954 -0.012051 0.010065 0.018889 0.130500 0.285081 -0.262373 -0.052812 -0.002965 0.033949 0.172744 0.090555 -0.340615 -0.024722 0.008884 -0.004060 0.013793 0.001181 0.022665 -0.278430 -0.133596 0.210468 -0.029845 -0.007702 -0.008877 -0.001799 -0.010320 0.011202 -0.391158 -0.076031 1.145674 -0.001399 0.002223 0.025150 -0.118524 0.100961 0.128068 -0.021740 -0.015365 0.004401 -0.185419 -0.274242 -0.369547 0.029383 -0.004399 0.013007 -0.013631 -0.006314 0.027955 0.345797 0.157857 -0.171515 -0.014017 0.013525 0.015392 0.002607 0.005755 0.008068 -0.042123 -0.080300 0.223492 0.005899 -0.012464 0.003568 0.020121 -0.193312 0.608152 0.009922 0.003457 0.022598 -0.058367 -0.112191 -0.263060 -0.006830 0.005195 -0.010077 -0.004153 0.002763 0.009297 0.048392 0.131580 -0.531022 0.013753 0.011144 0.001120 -0.006799 0.003468 -0.000608 0.060918 0.037739 0.053443 -0.010167 0.003303 0.011312 -0.008417 -0.100004 1.126878 -0.005225 -0.026890 0.008211 0.050137 0.279189 -0.223460 -0.000085 -0.002417 0.005267 -0.006198 -0.000121 0.013308 -0.037322 -0.165229 -0.245458 0.000342 -0.006354 -0.001144 0.014176 -0.008206 0.238255 -0.020212 -0.001503 -0.086790 -0.019180 -0.017451 0.003501 -0.139926 0.014945 0.268656 -0.005728 0.042649 -0.000030 -0.036059 -0.109267 0.210199 -0.005300 -0.015607 0.004491 -0.075447 -0.144323 -0.077443 0.062344 -0.043530 0.011343 0.020441 -0.014273 0.295615 -0.011356 -0.000745 0.011512 0.097190 0.012355 -0.007026 -0.004283 -0.007074 0.018953 -0.005225 0.015470 0.007936 -0.004587 0.007900 -0.003900 0.009981 -0.000117 0.010171 0.000650 -0.000298 -0.002980 -0.003440 -0.005755 -0.000441 0.009696 -0.007792 0.017072 0.001324 -0.019168 -0.005050 0.001311 -0.004237 0.015046 0.039131 -0.035066 0.319581 -0.062601 -0.024869 -1.024016 -0.019013 0.024189 0.100101 -0.005283 -0.009404 -0.000055 0.056691 0.077291 -0.798029 -0.009323 0.014243 0.002502 0.084988 0.129505 -0.028364 -0.005380 -0.002032 0.017571 -0.001253 0.004488 0.008431 -0.005334 -0.007527 -0.001701 -0.006895 -0.008775 0.008655 -0.042322 0.045425 -0.134476 0.069874 -0.128031 0.059278 0.005416 0.001187 -0.007065 0.132675 0.087622 -0.183702 0.092794 0.043085 -0.228783 -0.008836 0.017263 -0.007215 -0.113998 0.077295 -0.161865 -0.004706 -0.061252 -0.168296 -0.151683 0.049504 -0.042042 -0.018682 0.007761 0.017438 0.543385 0.094544 0.027006 -0.013485 0.005241 0.024234 0.132336 0.284952 -0.261592 -0.051378 -0.003308 0.034500 0.172811 0.090814 -0.342624 -0.028748 0.012030 -0.002349 0.010656 -0.003420 0.024211 -0.278201 -0.133214 0.209323 -0.033097 -0.012937 -0.007399 -0.005144 -0.009976 0.013646 -0.391416 -0.075625 1.144973 0.000018 0.001250 0.028405 -0.120325 0.101028 0.126851 -0.023597 -0.016456 0.010932 -0.185461 -0.274087 -0.370730 0.036881 -0.002670 0.017495 -0.015664 -0.004129 0.034867 0.345567 0.158477 -0.172802 -0.013224 0.015792 0.017505 0.001156 0.004800 0.015065 -0.041017 -0.082118 0.223379 0.006198 -0.009216 0.002812 0.020206 -0.192969 0.607264 0.008007 0.000466 0.023577 -0.058641 -0.112047 -0.264229 -0.004833 0.000452 -0.006790 -0.004302 0.005392 0.010227 0.048631 0.131660 -0.533072 0.013526 0.012146 0.004088 -0.007604 0.003382 0.002996 0.059849 0.037660 0.052931 -0.011596 0.001507 0.010251 -0.008572 -0.099681 1.126672 -0.005183 -0.025562 0.009440 0.050417 0.279431 -0.224453 -0.000454 -0.006294 0.007307 -0.006611 -0.002330 0.015800 -0.037526 -0.165422 -0.246455 0.000991 -0.007030 -0.001795 -0.003009 -0.006611 0.169750 0.018227 -0.004583 0.179739 -0.024312 -0.020358 0.001180 -0.139602 0.014227 0.269937 -0.005753 0.057992 -0.000194 -0.036275 -0.109023 0.210476 -0.004798 -0.015139 0.009459 -0.075464 -0.145254 -0.073628 0.089154 -0.051340 0.011565 0.021558 -0.013566 0.296188 -0.016796 -0.001544 0.012179 0.121252 0.015806 -0.002089 -0.006050 -0.012960 0.023589 -0.005863 0.011448 0.007676 -0.007512 0.015222 -0.012674 0.011511 -0.003589 0.021738 0.001682 0.002037 0.005025 -0.007013 -0.000575 -0.003000 0.015417 -0.011568 0.014005 0.004366 -0.021502 0.000205 0.005880 -0.006993 0.012522 0.038886 -0.035596 0.319183 -0.062274 -0.024907 -1.024106 -0.019427 0.024286 0.102783 -0.002875 -0.012287 -0.002265 0.056967 0.077104 -0.797671 -0.012074 0.018077 0.005625 0.085389 0.129814 -0.027422 -0.006800 -0.002980 0.016275 -0.001314 0.008598 0.005105 -0.007062 -0.003708 -0.003717 -0.005818 -0.011057 0.009926 -0.041638 0.045472 -0.133302 0.070631 -0.127805 0.060816 0.002531 0.003579 -0.000825 0.132650 0.087218 -0.180082 0.092914 0.043576 -0.228960 -0.013141 0.018547 -0.012992 -0.113602 0.078529 -0.158645 -0.004882 -0.062032 -0.166919 -0.151509 0.049368 -0.041352 -0.023335 0.010094 0.020038 0.542650 0.097180 0.025430 -0.013478 0.007399 0.022461 0.134074 0.284269 -0.254942 -0.064229 -0.005170 0.027154 0.173287 0.091222 -0.344620 -0.028596 0.009796 -0.002247 0.016585 0.002718 0.021418 -0.278328 -0.132835 0.209864 -0.036613 -0.019300 -0.005534 -0.005025 -0.010671 0.013581 -0.390815 -0.076801 1.145877 -0.000021 -0.002741 0.021920 -0.121251 0.101473 0.124219 -0.033804 -0.024669 0.014319 -0.185550 -0.273786 -0.370606 0.032388 -0.003173 0.020652 -0.019621 -0.009422 0.030896 0.346215 0.159709 -0.173121 -0.029602 0.017987 0.014809 0.003801 0.012577 0.013787 -0.038671 -0.084657 0.226337 0.004124 -0.012613 0.001984 0.019190 -0.192441 0.611896 0.008981 0.002304 0.019756 -0.059053 -0.112353 -0.264102 -0.005928 0.010374 -0.013221 -0.006331 -0.002066 0.003660 0.048584 0.131441 -0.535505 0.013631 0.014080 0.001728 0.002024 0.001380 0.000391 0.058280 0.037762 0.056897 -0.009780 0.003774 0.015208 -0.007241 -0.099508 1.128571 -0.001523 -0.032903 0.013086 0.051274 0.279160 -0.224079 -0.001486 -0.004322 0.007604 -0.003313 0.002642 0.016590 -0.037113 -0.166449 -0.246258 -0.000500 -0.011231 -0.001477 -0.051043 -0.002757 -0.119771 0.019630 -0.004636 0.189181 -0.024120 -0.018311 -0.001439 -0.139579 0.013966 0.269286 -0.004086 0.053253 -0.001318 -0.036200 -0.108898 0.209335 -0.003141 -0.010419 0.008884 -0.075739 -0.146069 -0.073730 0.083479 -0.046693 0.012065 0.022094 -0.013063 0.295025 -0.014399 -0.001594 0.011304 0.107547 0.016001 -0.000227 -0.005028 -0.014309 0.021309 -0.005036 0.007951 0.009911 -0.007802 0.013886 -0.014590 0.010721 -0.003217 0.023209 0.000900 0.002837 0.008288 -0.007679 0.001216 -0.003404 0.016110 -0.010807 0.010807 0.005132 -0.018314 0.001095 0.005184 -0.007606 0.012211 0.038628 -0.035748 0.319505 -0.061920 -0.024683 -1.025066 -0.020186 0.024328 0.102974 -0.002437 -0.012485 -0.003255 0.057294 0.077096 -0.798768 -0.010499 0.017949 0.006424 0.085131 0.130269 -0.027239 -0.006096 -0.001336 0.012776 0.000124 0.008922 0.005523 -0.006384 -0.002092 -0.004934 -0.003179 -0.009589 0.006435 -0.041197 0.045559 -0.133385 0.071003 -0.127417 0.060800 0.001743 0.004544 0.001062 0.132835 0.086841 -0.179869 0.093048 0.043957 -0.230147 -0.012304 0.016651 -0.013182 -0.112969 0.079661 -0.158417 -0.004361 -0.062512 -0.166408 -0.151526 0.048960 -0.040886 -0.022210 0.009307 0.018473 0.542402 0.099539 0.025612 -0.017004 0.007742 0.024760 0.136708 0.283955 -0.259058 -0.059164 -0.005411 0.031338 0.173851 0.091041 -0.346682 -0.031957 0.008081 -0.000746 0.017598 0.002772 0.025245 -0.277824 -0.132805 0.208700 -0.037340 -0.017609 -0.004408 -0.006376 -0.011064 0.018999 -0.390415 -0.076951 1.145914 0.001887 -0.003519 0.022566 -0.122514 0.101877 0.124420 -0.029488 -0.023382 0.014437 -0.185621 -0.273758 -0.372448 0.034408 -0.001813 0.022916 -0.021884 -0.010636 0.034509 0.346178 0.158518 -0.174306 -0.030632 0.015696 0.019937 0.003288 0.014874 0.013561 -0.038446 -0.086764 0.227781 0.004249 -0.013026 -0.000597 0.019201 -0.192340 0.612409 0.009677 0.001454 0.019649 -0.057280 -0.112158 -0.265221 -0.005073 0.008508 -0.014342 -0.006416 -0.003212 0.005065 0.048849 0.131413 -0.537850 0.013000 0.010418 0.001547 0.004324 0.000457 0.001289 0.058681 0.037587 0.056519 -0.011770 0.003149 0.016609 -0.006874 -0.100194 1.128913 -0.001068 -0.032811 0.013239 0.049713 0.279255 -0.225267 -0.001510 -0.004298 0.007948 -0.004686 0.002682 0.019697 -0.037114 -0.165166 -0.247331 0.000791 -0.010048 -0.002743 -0.056877 -0.005409 -0.132198 0.023420 -0.005355 0.226705 -0.018901 -0.018742 -0.004235 -0.139621 0.013168 0.272050 -0.004286 0.042475 0.000787 -0.037034 -0.108675 0.211638 -0.000281 -0.004464 0.017550 -0.075056 -0.145809 -0.071234 0.068134 -0.033346 0.018503 0.023281 -0.012528 0.296483 -0.019545 -0.003529 0.012542 0.066548 0.019226 0.004091 -0.003720 -0.018444 0.022164 -0.002732 0.003320 0.014916 -0.011266 0.013735 -0.013800 0.005247 -0.009087 0.032286 -0.002006 0.005150 0.019729 -0.010387 0.005585 -0.001170 0.019396 -0.009983 0.004904 0.006259 -0.017084 0.005589 0.006869 -0.010133 0.012126 0.038545 -0.036498 0.318164 -0.062208 -0.025085 -1.024344 -0.022954 0.024326 0.107594 -0.000256 -0.014213 -0.002942 0.057271 0.076691 -0.797075 -0.010617 0.019041 0.013836 0.085432 0.129112 -0.023641 -0.006210 0.002459 0.006221 0.003407 0.008062 0.006904 -0.005721 0.001076 -0.004588 -0.001854 -0.006252 0.009398 -0.041116 0.045470 -0.130534 0.072809 -0.126450 0.065056 -0.003267 0.007422 0.008500 0.132459 0.085537 -0.174626 0.092951 0.044474 -0.229214 -0.013009 0.010202 -0.011675 -0.113472 0.081272 -0.153123 -0.004910 -0.063633 -0.156995 -0.151804 0.047590 -0.035910 -0.018784 0.007551 0.019786 0.543509 0.095521 0.024492 -0.006917 0.013716 0.012719 0.132928 0.282323 -0.245972 -0.044252 -0.005150 0.006076 0.174120 0.090919 -0.347929 -0.028886 -0.005509 -0.002503 0.015931 0.011113 0.021181 -0.277623 -0.132070 0.210216 -0.023225 -0.021574 0.001708 -0.007689 -0.007433 0.019125 -0.392390 -0.079594 1.149433 -0.005537 -0.005737 0.007848 -0.118306 0.101298 0.118410 -0.012616 -0.021408 0.017937 -0.186177 -0.274072 -0.371143 0.026166 0.001269 0.016242 -0.011987 -0.015755 0.018506 0.346080 0.162383 -0.174181 -0.037640 0.010187 0.008050 0.006971 0.016849 0.014357 -0.034282 -0.084133 0.232192 0.003494 -0.019700 -0.001902 0.018520 -0.191739 0.621960 0.008519 0.004412 0.004951 -0.060102 -0.112448 -0.263980 0.002660 0.013680 -0.019499 -0.006382 -0.015098 -0.000146 0.048849 0.130449 -0.540660 0.011466 0.009353 -0.003964 0.014012 -0.004794 -0.007868 0.054534 0.038272 0.061554 -0.009788 0.011852 0.018895 -0.006742 -0.098192 1.130303 0.001636 -0.027328 0.014689 0.052378 0.279117 -0.223967 -0.006987 -0.001993 0.006975 -0.004284 0.008819 0.015403 -0.037384 -0.168916 -0.246756 -0.004479 -0.010177 -0.001929 -0.059112 -0.002352 -0.193239 0.031667 -0.006468 0.297560 -0.013279 -0.016997 -0.010036 -0.139951 0.011595 0.275187 -0.004683 0.014578 0.004283 -0.038081 -0.108061 0.212542 0.005461 0.016984 0.030609 -0.074434 -0.147355 -0.066847 0.036071 -0.005766 0.028740 0.025232 -0.010919 0.296702 -0.015727 -0.004951 0.003372 -0.011619 0.025595 0.011327 -0.000316 -0.026332 0.018542 0.001744 -0.011378 0.025275 -0.018548 0.011429 -0.016631 -0.004260 -0.017175 0.048064 -0.009242 0.008380 0.039411 -0.016100 0.013841 0.003139 0.021727 -0.006295 -0.010310 0.009694 -0.008682 0.014578 0.006656 -0.013472 0.010782 0.037985 -0.037891 0.317780 -0.062268 -0.025318 -1.024745 -0.027739 0.024416 0.114299 0.002574 -0.016514 -0.004589 0.057493 0.076025 -0.796395 -0.007817 0.019669 0.024701 0.085352 0.128810 -0.017946 -0.005603 0.010768 -0.008422 0.010063 0.008698 0.009366 -0.003162 0.008854 -0.005998 0.005237 -0.000373 0.003995 -0.040533 0.045502 -0.126841 0.074873 -0.124534 0.070969 -0.010419 0.013788 0.021308 0.131691 0.083119 -0.166944 0.092773 0.045579 -0.229726 -0.010886 -0.003217 -0.013310 -0.113549 0.085503 -0.145522 -0.005255 -0.065937 -0.143958 -0.152187 0.045040 -0.028546 -0.014194 0.003420 0.018891 0.544284 0.092960 0.020740 -0.007726 0.020826 0.007173 0.131904 0.280273 -0.239939 -0.016045 -0.002674 -0.021414 0.175052 0.091038 -0.353850 -0.019030 -0.026218 -0.005199 0.012321 0.024501 0.014246 -0.277527 -0.130821 0.210532 0.000200 -0.024640 0.013199 -0.011279 0.001328 0.022378 -0.394711 -0.083651 1.154424 -0.004444 -0.016430 -0.005240 -0.115168 0.101302 0.109652 0.018629 -0.017077 0.035942 -0.187134 -0.273953 -0.372213 0.017649 0.007143 0.013049 0.001424 -0.021334 0.008690 0.346382 0.165758 -0.175960 -0.052288 -0.001981 0.005807 0.011400 0.020417 0.003345 -0.029158 -0.083267 0.239734 0.002743 -0.025684 -0.005012 0.017337 -0.191442 0.635987 0.007606 0.002039 -0.018720 -0.061556 -0.113039 -0.264093 0.014403 0.018216 -0.026670 -0.008628 -0.034132 -0.007007 0.048575 0.129089 -0.547920 0.008511 -0.004025 -0.011065 0.030183 -0.015065 -0.017020 0.049955 0.039046 0.070302 -0.007634 0.025043 0.021806 -0.006200 -0.096959 1.132382 0.005157 -0.017793 0.015232 0.053507 0.278673 -0.224105 -0.016470 0.002458 0.005314 -0.001102 0.017357 0.014097 -0.037589 -0.171864 -0.247523 -0.010729 -0.008910 -0.001574 -0.069243 -0.000461 -0.294159 -0.032169 -0.001388 -0.116061 -0.009932 -0.008645 -0.008488 -0.139954 0.011593 0.275959 -0.004550 -0.002023 0.007947 -0.038804 -0.107778 0.213752 0.008392 0.019293 0.027522 -0.073841 -0.147220 -0.066479 0.008123 0.010972 0.021983 0.026146 -0.010678 0.296515 -0.013554 -0.004508 0.003367 -0.031806 0.020641 0.010883 0.001588 -0.022650 0.013581 0.002226 -0.012430 0.023290 -0.019078 0.009504 -0.010523 -0.008181 -0.018385 0.042967 -0.011864 0.007160 0.036368 -0.013572 0.012749 0.002322 0.018024 -0.002985 -0.014064 0.004841 -0.006604 0.011882 0.004682 -0.012185 0.007725 0.038532 -0.037577 0.315694 -0.062342 -0.025459 -1.025557 -0.029562 0.025183 0.116786 0.003431 -0.014820 -0.002979 0.057580 0.075922 -0.796482 -0.008155 0.017637 0.026885 0.085432 0.128096 -0.016925 -0.004951 0.013619 -0.012409 0.011723 0.005576 0.009184 -0.000509 0.009625 -0.004814 0.005300 0.002777 0.004569 -0.040617 0.045613 -0.126280 0.075988 -0.123120 0.073336 -0.011318 0.013958 0.020235 0.131710 0.081608 -0.165573 0.092811 0.046038 -0.230328 -0.007371 -0.009088 -0.010608 -0.114014 0.086410 -0.142923 -0.005552 -0.066111 -0.137114 -0.152359 0.043493 -0.025141 -0.008390 0.001957 0.015807 0.545510 0.084825 0.020701 -0.000584 0.021899 0.004719 0.125584 0.278408 -0.235263 -0.008932 -0.000416 -0.024666 0.175673 0.090795 -0.355159 -0.011723 -0.031774 -0.006178 0.011355 0.023849 0.017371 -0.277794 -0.130295 0.210107 0.009959 -0.028175 0.015654 -0.010115 0.002543 0.026303 -0.396285 -0.085410 1.155907 -0.011562 -0.017202 -0.009344 -0.107889 0.100697 0.104543 0.029449 -0.011248 0.040126 -0.187596 -0.275000 -0.372753 0.011462 0.010785 0.012128 0.003406 -0.019241 0.011119 0.346859 0.168402 -0.177104 -0.047385 -0.004708 -0.001743 0.010150 0.016662 0.011334 -0.026635 -0.075709 0.240093 0.005302 -0.025811 -0.002066 0.017398 -0.190486 0.638875 0.006510 0.000801 -0.020331 -0.063529 -0.112850 -0.264199 0.017778 0.015888 -0.025922 -0.009083 -0.034358 -0.003091 0.048868 0.128607 -0.549219 0.007785 -0.003790 -0.011018 0.025668 -0.016242 -0.015547 0.047371 0.040309 0.069854 -0.008005 0.026620 0.023061 -0.006012 -0.095939 1.131637 0.004771 -0.014178 0.015556 0.055402 0.279558 -0.224844 -0.017975 0.002249 0.005735 -0.003919 0.014248 0.017673 -0.037712 -0.174197 -0.248558 -0.011521 -0.010546 -0.000493 0.003911 -0.005341 0.109189 -0.023373 -0.002473 -0.055060 -0.011421 -0.010535 -0.006706 -0.140170 0.010872 0.276905 -0.005351 0.000991 0.008063 -0.038885 -0.108013 0.213599 0.006723 0.016720 0.032652 -0.075587 -0.148228 -0.066250 0.011999 0.006826 0.025681 0.025782 -0.010344 0.297589 -0.013001 -0.004900 0.006386 -0.027423 0.021483 0.015548 0.001253 -0.023665 0.015950 0.001531 -0.014275 0.025871 -0.019134 0.010496 -0.009855 -0.007084 -0.016890 0.044394 -0.011976 0.007123 0.037517 -0.014083 0.012875 0.003245 0.018409 -0.003534 -0.013097 0.005884 -0.005143 0.013835 0.002877 -0.012779 0.010843 0.037137 -0.038057 0.318691 -0.062343 -0.025518 -1.024608 -0.029826 0.024475 0.116322 0.003407 -0.015754 -0.002759 0.057383 0.075717 -0.795951 -0.008591 0.017569 0.027505 0.083872 0.128439 -0.016648 -0.004930 0.012793 -0.010864 0.011367 0.005234 0.009018 -0.001507 0.009467 -0.005613 0.005732 0.001602 0.003121 -0.040441 0.045387 -0.124522 0.076052 -0.123715 0.073506 -0.011497 0.013607 0.020991 0.131508 0.081838 -0.164820 0.092489 0.045801 -0.229440 -0.008208 -0.007118 -0.010648 -0.112759 0.087485 -0.142787 -0.004371 -0.067555 -0.138616 -0.152576 0.043719 -0.024872 -0.010633 0.001771 0.016901 0.544776 0.097878 0.022244 -0.003996 0.021100 0.001358 0.137102 0.278557 -0.232394 -0.009959 -0.000329 -0.029871 0.175328 0.090593 -0.354566 -0.011413 -0.031111 -0.005531 0.012267 0.025737 0.011818 -0.277684 -0.130682 0.210252 0.011060 -0.024268 0.016363 -0.008422 0.003473 0.021549 -0.395997 -0.083916 1.156289 -0.005543 -0.016323 -0.013942 -0.120370 0.101056 0.106994 0.029154 -0.009435 0.031501 -0.187779 -0.274333 -0.373180 0.007907 0.009389 0.009477 0.005013 -0.017280 0.002296 0.346313 0.166534 -0.176584 -0.048965 -0.009526 0.004331 0.010724 0.015679 -0.003099 -0.027151 -0.088829 0.242036 0.003768 -0.026860 -0.002248 0.018210 -0.191412 0.640292 0.007275 0.002999 -0.024059 -0.062369 -0.113006 -0.264103 0.016421 0.017811 -0.025149 -0.007812 -0.036153 -0.004105 0.048357 0.128526 -0.549674 0.006869 -0.003424 -0.012514 0.025089 -0.015583 -0.019448 0.047775 0.038115 0.071718 -0.005221 0.028023 0.021665 -0.007548 -0.097073 1.133303 0.004692 -0.015335 0.012879 0.053686 0.278744 -0.224189 -0.016710 0.005883 0.004641 -0.002846 0.014990 0.013279 -0.037704 -0.172856 -0.248023 -0.012413 -0.006581 -0.000505 -0.000120 -0.004566 0.057883 -0.022108 -0.002633 -0.047830 -0.007711 -0.003676 -0.004329 -0.140223 0.011044 0.276894 -0.005010 -0.004675 0.005841 -0.038948 -0.107676 0.213526 0.007273 0.009830 0.021605 -0.075984 -0.148414 -0.066951 -0.000516 0.006707 0.015908 0.025864 -0.009997 0.297536 -0.009366 -0.003985 0.006011 -0.019634 0.014952 0.009726 0.001647 -0.018675 0.012256 0.001277 -0.011982 0.023077 -0.016255 0.010588 -0.005722 -0.006477 -0.014540 0.035042 -0.007161 0.004829 0.032328 -0.010759 0.009466 0.001309 0.013532 -0.001633 -0.012628 0.003143 -0.003042 0.012002 0.001102 -0.009255 0.007858 0.036999 -0.037955 0.318340 -0.062444 -0.025433 -1.025160 -0.030695 0.024914 0.116485 0.003785 -0.012974 -0.001560 0.057458 0.075843 -0.795906 -0.009976 0.013892 0.024908 0.083484 0.128417 -0.016662 -0.005072 0.011328 -0.011015 0.010894 0.002677 0.006687 -0.001225 0.008406 -0.004103 0.005429 0.002340 0.002877 -0.040560 0.045613 -0.123826 0.077003 -0.123037 0.073956 -0.010839 0.011805 0.017330 0.131674 0.081443 -0.165458 0.092535 0.046101 -0.229620 -0.005776 -0.007713 -0.008979 -0.112355 0.088504 -0.142432 -0.003984 -0.068108 -0.137123 -0.152588 0.043446 -0.023905 -0.007671 0.001556 0.013102 0.545162 0.100423 0.023148 -0.003691 0.022041 0.004065 0.139656 0.278405 -0.227685 -0.011959 0.000920 -0.030049 0.175383 0.090772 -0.354734 -0.012776 -0.029554 -0.003498 0.011566 0.024973 0.017130 -0.277441 -0.130300 0.209785 0.012832 -0.027815 0.016593 -0.008918 0.002060 0.024230 -0.396550 -0.083358 1.156531 -0.007552 -0.016698 -0.010246 -0.123090 0.100994 0.104460 0.026590 -0.008271 0.036924 -0.187846 -0.274126 -0.373880 0.011544 0.007450 0.009973 0.003952 -0.017550 0.009127 0.346087 0.167736 -0.177278 -0.044652 -0.007113 0.004765 0.008408 0.012515 0.000703 -0.027056 -0.091079 0.241258 0.005039 -0.025538 0.001108 0.019240 -0.191635 0.639618 0.007433 0.002218 -0.021158 -0.063397 -0.112799 -0.264353 0.017010 0.017489 -0.022954 -0.007178 -0.034135 -0.000965 0.048621 0.128630 -0.550543 0.008374 0.001567 -0.009608 0.018646 -0.014799 -0.016500 0.047582 0.037974 0.071226 -0.005461 0.027305 0.022534 -0.008369 -0.096767 1.132885 0.002579 -0.012945 0.012599 0.054616 0.278947 -0.224605 -0.015484 0.005667 0.004870 -0.003257 0.013435 0.015433 -0.037920 -0.173583 -0.248645 -0.013985 -0.007989 0.000676 -0.003496 -0.003767 0.055666 -0.019585 -0.004043 -0.027532 -0.001005 0.007246 0.005660 -0.140507 0.011799 0.277532 -0.004204 -0.016854 0.005550 -0.038903 -0.107433 0.214272 0.005619 0.002156 0.000860 -0.075602 -0.149668 -0.066082 -0.035174 0.002755 -0.002410 0.025626 -0.010442 0.297105 -0.001648 -0.002672 0.009305 0.000651 -0.004098 -0.000274 0.003937 -0.001748 0.000247 -0.000376 -0.005559 0.017203 -0.008399 0.007331 0.006484 -0.006049 -0.006122 0.005534 0.008649 -0.003769 0.019771 -0.001354 -0.002369 -0.003228 -0.001980 0.002767 -0.010374 -0.007615 0.002483 0.007482 -0.004710 0.000531 0.000840 0.038151 -0.037965 0.317366 -0.062595 -0.025549 -1.025453 -0.031415 0.026645 0.119008 0.002619 -0.004854 0.003235 0.057447 0.075749 -0.794686 -0.012305 0.003534 0.018431 0.083298 0.128280 -0.014321 -0.005286 0.007221 -0.009190 0.009518 -0.003864 0.003204 0.002155 0.004159 0.002338 0.003175 0.002825 0.005143 -0.041262 0.045681 -0.123178 0.077102 -0.121340 0.077116 -0.009315 0.005071 0.006117 0.131684 0.079418 -0.166659 0.092659 0.045977 -0.229268 0.002235 -0.011362 -0.001342 -0.112703 0.088930 -0.140811 -0.004240 -0.068224 -0.131907 -0.152156 0.041869 -0.020595 -0.001518 -0.000639 0.004939 0.547498 0.089510 0.025216 0.003472 0.021830 -0.001628 0.132590 0.278229 -0.224577 -0.016598 0.007083 -0.012219 0.176157 0.090618 -0.352414 -0.008351 -0.019990 -0.000632 0.007990 0.007708 0.023536 -0.277660 -0.129984 0.209484 0.019659 -0.020763 0.013562 -0.001865 -0.003804 0.016217 -0.399933 -0.083697 1.156803 -0.014771 -0.012680 0.004245 -0.116030 0.100126 0.097955 0.015786 0.002614 0.033337 -0.188431 -0.274446 -0.374126 0.011686 -0.000263 0.007436 0.000277 -0.005655 0.013929 0.346352 0.168389 -0.177926 -0.018870 -0.001398 -0.002195 -0.001890 -0.006520 0.007821 -0.027230 -0.081306 0.238888 0.006654 -0.019844 0.016368 0.022038 -0.193590 0.639676 0.004123 0.000456 -0.008087 -0.063206 -0.112650 -0.264110 0.011728 0.011520 -0.004914 0.001148 -0.009062 0.008207 0.048610 0.128716 -0.550269 0.011058 0.005349 -0.005272 -0.015201 -0.006467 -0.004104 0.047261 0.038693 0.071241 -0.002368 0.020929 0.023086 -0.010419 -0.096220 1.132082 -0.005786 -0.001653 0.004289 0.054459 0.279104 -0.225074 -0.012227 0.005561 0.003350 -0.003002 0.001781 0.012521 -0.037876 -0.174082 -0.249117 -0.016918 -0.006311 0.004536 0.005469 -0.001684 0.035439</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="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="9.4395"
                           zFract="0.42481998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <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="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <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 a81" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a81" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33446"
                           xFract="0.75052844"
                           y3="6.33101"
                           yFract="0.75011967"
                           z3="9.48871"
                           zFract="0.42703465"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.22255"
                           xFract="0.50030213"
                           y3="4.22121"
                           yFract="0.50014336"
                           z3="6.31825"
                           zFract="0.28434968"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32786"
                           xFract="0.74974645"
                           y3="6.33934"
                           yFract="0.75110664"
                           z3="6.26535"
                           zFract="0.28196895"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11159"
                           xFract="0.25018839"
                           y3="6.33872"
                           yFract="0.75103318"
                           z3="6.31892"
                           zFract="0.28437984"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00251"
                           xFract="-0.00029739"
                           y3="2.10023"
                           yFract="0.24884242"
                           z3="4.22412"
                           zFract="0.19010441"/>
                     <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="-0.0090"
                           xFract="-0.00106635"
                           y3="2.10496"
                           yFract="0.24940284"
                           z3="8.42666"
                           zFract="0.37923762"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22085"
                           xFract="0.50010071"
                           y3="-0.00121"
                           yFract="-0.00014336"
                           z3="6.3135"
                           zFract="0.28413591"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09433"
                           xFract="0.24814336"
                           y3="0.00258"
                           yFract="0.00030569"
                           z3="8.40637"
                           zFract="0.37832448"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34631"
                           xFract="0.75193246"
                           y3="0.0849"
                           yFract="0.01005924"
                           z3="8.37923"
                           zFract="0.37710306"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10788"
                           xFract="0.24974882"
                           y3="2.09308"
                           yFract="0.24799526"
                           z3="6.32269"
                           zFract="0.2845495"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00792"
                           xFract="-0.00093839"
                           y3="4.21987"
                           yFract="0.4999846"
                           z3="6.31729"
                           zFract="0.28430648"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14481"
                           xFract="0.49109123"
                           y3="6.3314"
                           yFract="0.75016588"
                           z3="8.37661"
                           zFract="0.37698515"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10186"
                           xFract="0.24903555"
                           y3="4.21727"
                           yFract="0.49967654"
                           z3="8.41312"
                           zFract="0.37862826"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1167"
                           xFract="0.25079384"
                           y3="4.23128"
                           yFract="0.50133649"
                           z3="4.2144"
                           zFract="0.18966697"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33854"
                           xFract="0.75101185"
                           y3="4.13466"
                           yFract="0.48988863"
                           z3="8.38686"
                           zFract="0.37744644"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22757"
                           xFract="0.50089692"
                           y3="2.10875"
                           yFract="0.2498519"
                           z3="8.40261"
                           zFract="0.37815527"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21965"
                           xFract="0.49995853"
                           y3="6.33441"
                           yFract="0.75052251"
                           z3="4.22291"
                           zFract="0.19004995"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00077"
                           xFract="0.00009123"
                           y3="0.00484"
                           yFract="0.00057346"
                           z3="6.31955"
                           zFract="0.28440819"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33024"
                           xFract="0.75002844"
                           y3="-0.00394"
                           yFract="-0.00046682"
                           z3="4.2243"
                           zFract="0.19011251"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10864"
                           xFract="0.24983886"
                           y3="-0.00656"
                           yFract="-0.00077725"
                           z3="4.22282"
                           zFract="0.1900459"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00018"
                           xFract="-0.00002133"
                           y3="6.33708"
                           yFract="0.75083886"
                           z3="4.2167"
                           zFract="0.18977048"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33297"
                           xFract="0.7503519"
                           y3="2.10416"
                           yFract="0.24930806"
                           z3="6.33697"
                           zFract="0.28519217"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.08692"
                           xFract="0.01029858"
                           y3="6.33677"
                           yFract="0.75080213"
                           z3="8.41223"
                           zFract="0.37858821"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32543"
                           xFract="0.74945853"
                           y3="4.22353"
                           yFract="0.50041825"
                           z3="4.21411"
                           zFract="0.18965392"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22513"
                           xFract="0.50060782"
                           y3="2.10279"
                           yFract="0.24914573"
                           z3="4.22059"
                           zFract="0.18994554"/>
                     <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="0.02839"
                           xFract="0.00336374"
                           y3="2.13333"
                           yFract="0.25276422"
                           z3="6.31448"
                           zFract="0.28418002"/>
                     <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="2.1385"
                           xFract="0.25337678"
                           y3="-0.00759"
                           yFract="-0.00089929"
                           z3="6.35059"
                           zFract="0.28580513"/>
                     <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="0.00097"
                           xFract="0.00011493"
                           y3="0.02835"
                           yFract="0.003359"
                           z3="4.21376"
                           zFract="0.18963816"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01669"
                           xFract="-0.00197749"
                           y3="-0.01975"
                           yFract="-0.00234005"
                           z3="8.48521"
                           zFract="0.38187264"/>
                     <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="2.06874"
                           xFract="0.24511137"
                           y3="2.13645"
                           yFract="0.25313389"
                           z3="4.21976"
                           zFract="0.18990819"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1213"
                           xFract="0.25133886"
                           y3="2.11119"
                           yFract="0.250141"
                           z3="8.45544"
                           zFract="0.38053285"/>
                     <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="4.18822"
                           xFract="0.4962346"
                           y3="2.10984"
                           yFract="0.24998104"
                           z3="6.34538"
                           zFract="0.28557066"/>
                     <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="6.30235"
                           xFract="0.74672393"
                           y3="-0.04619"
                           yFract="-0.00547275"
                           z3="6.3580"
                           zFract="0.28613861"/>
                     <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="4.21918"
                           xFract="0.49990284"
                           y3="0.00727"
                           yFract="0.00086137"
                           z3="4.24126"
                           zFract="0.19087579"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23703"
                           xFract="0.50201777"
                           y3="-0.02068"
                           yFract="-0.00245024"
                           z3="8.48516"
                           zFract="0.38187039"/>
                     <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="6.37184"
                           xFract="0.75495735"
                           y3="2.11156"
                           yFract="0.25018483"
                           z3="4.21548"
                           zFract="0.18971557"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32621"
                           xFract="0.74955095"
                           y3="2.11132"
                           yFract="0.2501564"
                           z3="8.48559"
                           zFract="0.38188974"/>
                     <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="-0.01667"
                           xFract="-0.00197512"
                           y3="6.30912"
                           yFract="0.74752607"
                           z3="6.33508"
                           zFract="0.28510711"/>
                     <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="2.10331"
                           xFract="0.24920735"
                           y3="4.21781"
                           yFract="0.49974052"
                           z3="6.33063"
                           zFract="0.28490684"/>
                     <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="0.02244"
                           xFract="0.00265877"
                           y3="4.19351"
                           yFract="0.49686137"
                           z3="4.24303"
                           zFract="0.19095545"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.01668"
                           xFract="-0.0019763"
                           y3="4.23962"
                           yFract="0.50232464"
                           z3="8.4574"
                           zFract="0.38062106"/>
                     <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="2.10368"
                           xFract="0.24925118"
                           y3="6.31008"
                           yFract="0.74763981"
                           z3="4.23708"
                           zFract="0.19068767"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12646"
                           xFract="0.25195024"
                           y3="6.32873"
                           yFract="0.74984953"
                           z3="8.46934"
                           zFract="0.38115842"/>
                     <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="4.23488"
                           xFract="0.50176303"
                           y3="6.32912"
                           yFract="0.74989573"
                           z3="6.36519"
                           zFract="0.2864622"/>
                     <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="6.33066"
                           xFract="0.7500782"
                           y3="4.26466"
                           yFract="0.50529147"
                           z3="6.35966"
                           zFract="0.28621332"/>
                     <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="4.19982"
                           xFract="0.497609"
                           y3="4.21141"
                           yFract="0.49898223"
                           z3="4.24348"
                           zFract="0.1909757"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23761"
                           xFract="0.50208649"
                           y3="4.24051"
                           yFract="0.50243009"
                           z3="8.48405"
                           zFract="0.38182043"/>
                     <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="6.33618"
                           xFract="0.75073223"
                           y3="6.32951"
                           yFract="0.74994194"
                           z3="4.22985"
                           zFract="0.19036229"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.29404"
                           xFract="0.74573934"
                           y3="6.32828"
                           yFract="0.74979621"
                           z3="8.50186"
                           zFract="0.38262196"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33527"
                           xFract="0.75062441"
                           y3="6.33119"
                           yFract="0.750141"
                           z3="9.49756"
                           zFract="0.42743294"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2230"
                           xFract="0.50035545"
                           y3="4.22142"
                           yFract="0.50016825"
                           z3="6.31621"
                           zFract="0.28425788"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32748"
                           xFract="0.74970142"
                           y3="6.34101"
                           yFract="0.7513045"
                           z3="6.25381"
                           zFract="0.28144959"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11188"
                           xFract="0.25022275"
                           y3="6.34029"
                           yFract="0.75121919"
                           z3="6.3170"
                           zFract="0.28429343"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00296"
                           xFract="-0.00035071"
                           y3="2.09848"
                           yFract="0.24863507"
                           z3="4.2249"
                           zFract="0.19013951"/>
                     <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="-0.01062"
                           xFract="-0.00125829"
                           y3="2.10405"
                           yFract="0.24929502"
                           z3="8.42434"
                           zFract="0.37913321"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2210"
                           xFract="0.50011848"
                           y3="-0.00142"
                           yFract="-0.00016825"
                           z3="6.31061"
                           zFract="0.28400585"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09152"
                           xFract="0.24781043"
                           y3="0.00305"
                           yFract="0.00036137"
                           z3="8.4004"
                           zFract="0.37805581"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34924"
                           xFract="0.75227962"
                           y3="0.10015"
                           yFract="0.01186611"
                           z3="8.36839"
                           zFract="0.37661521"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1075"
                           xFract="0.24970379"
                           y3="2.09004"
                           yFract="0.24763507"
                           z3="6.32146"
                           zFract="0.28449415"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.00935"
                           xFract="-0.00110782"
                           y3="4.21985"
                           yFract="0.49998223"
                           z3="6.31508"
                           zFract="0.28420702"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1313"
                           xFract="0.48949052"
                           y3="6.33165"
                           yFract="0.7501955"
                           z3="8.36529"
                           zFract="0.3764757"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1004"
                           xFract="0.24886256"
                           y3="4.21678"
                           yFract="0.49961848"
                           z3="8.40837"
                           zFract="0.37841449"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1179"
                           xFract="0.25093602"
                           y3="4.23331"
                           yFract="0.50157701"
                           z3="4.21343"
                           zFract="0.18962331"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.34007"
                           xFract="0.75119313"
                           y3="4.11933"
                           yFract="0.48807227"
                           z3="8.37738"
                           zFract="0.3770198"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22893"
                           xFract="0.50105806"
                           y3="2.10853"
                           yFract="0.24982583"
                           z3="8.39597"
                           zFract="0.37785644"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21959"
                           xFract="0.49995142"
                           y3="6.33521"
                           yFract="0.7506173"
                           z3="4.22347"
                           zFract="0.19007516"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.0009"
                           xFract="0.00010664"
                           y3="0.00571"
                           yFract="0.00067654"
                           z3="6.31775"
                           zFract="0.28432718"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33028"
                           xFract="0.75003318"
                           y3="-0.00465"
                           yFract="-0.00055095"
                           z3="4.22511"
                           zFract="0.19014896"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10839"
                           xFract="0.24980924"
                           y3="-0.00774"
                           yFract="-0.00091706"
                           z3="4.22336"
                           zFract="0.19007021"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00022"
                           xFract="-0.00002607"
                           y3="6.33836"
                           yFract="0.75099052"
                           z3="4.21614"
                           zFract="0.18974527"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3335"
                           xFract="0.75041469"
                           y3="2.10311"
                           yFract="0.24918365"
                           z3="6.3383"
                           zFract="0.28525203"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10254"
                           xFract="0.01214929"
                           y3="6.33798"
                           yFract="0.7509455"
                           z3="8.40731"
                           zFract="0.37836679"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32461"
                           xFract="0.74936137"
                           y3="4.22417"
                           yFract="0.50049408"
                           z3="4.21309"
                           zFract="0.18960801"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22605"
                           xFract="0.50071682"
                           y3="2.10149"
                           yFract="0.24899171"
                           z3="4.22073"
                           zFract="0.18995185"/>
                     <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="0.03349"
                           xFract="0.00396801"
                           y3="2.13752"
                           yFract="0.25326066"
                           z3="6.31177"
                           zFract="0.28405806"/>
                     <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="2.14362"
                           xFract="0.25398341"
                           y3="-0.00895"
                           yFract="-0.00106043"
                           z3="6.35436"
                           zFract="0.2859748"/>
                     <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="0.00114"
                           xFract="0.00013507"
                           y3="0.03344"
                           yFract="0.00396209"
                           z3="4.21267"
                           zFract="0.18958911"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01969"
                           xFract="-0.00233294"
                           y3="-0.0233"
                           yFract="-0.00276066"
                           z3="8.4934"
                           zFract="0.38224122"/>
                     <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="2.06132"
                           xFract="0.24423223"
                           y3="2.1412"
                           yFract="0.25369668"
                           z3="4.21975"
                           zFract="0.18990774"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12333"
                           xFract="0.25157938"
                           y3="2.1114"
                           yFract="0.25016588"
                           z3="8.45829"
                           zFract="0.38066112"/>
                     <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="4.18251"
                           xFract="0.49555806"
                           y3="2.10981"
                           yFract="0.24997749"
                           z3="6.34822"
                           zFract="0.28569847"/>
                     <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="6.29738"
                           xFract="0.74613507"
                           y3="-0.05449"
                           yFract="-0.00645616"
                           z3="6.3631"
                           zFract="0.28636814"/>
                     <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="4.21903"
                           xFract="0.49988507"
                           y3="0.00858"
                           yFract="0.00101659"
                           z3="4.24511"
                           zFract="0.19104905"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24009"
                           xFract="0.50238033"
                           y3="-0.0244"
                           yFract="-0.002891"
                           z3="8.49334"
                           zFract="0.38223852"/>
                     <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="6.37935"
                           xFract="0.75584716"
                           y3="2.11184"
                           yFract="0.25021801"
                           z3="4.2147"
                           zFract="0.18968047"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32553"
                           xFract="0.74947038"
                           y3="2.11156"
                           yFract="0.25018483"
                           z3="8.49385"
                           zFract="0.38226148"/>
                     <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="-0.01967"
                           xFract="-0.00233057"
                           y3="6.30537"
                           yFract="0.74708175"
                           z3="6.33607"
                           zFract="0.28515167"/>
                     <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="2.10211"
                           xFract="0.24906517"
                           y3="4.21742"
                           yFract="0.49969431"
                           z3="6.33082"
                           zFract="0.28491539"/>
                     <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="0.02647"
                           xFract="0.00313626"
                           y3="4.18875"
                           yFract="0.49629739"
                           z3="4.24721"
                           zFract="0.19114356"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.01967"
                           xFract="-0.00233057"
                           y3="4.24314"
                           yFract="0.50274171"
                           z3="8.4606"
                           zFract="0.38076508"/>
                     <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="2.10254"
                           xFract="0.24911611"
                           y3="6.3065"
                           yFract="0.74721564"
                           z3="4.24018"
                           zFract="0.19082718"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12942"
                           xFract="0.25230095"
                           y3="6.3285"
                           yFract="0.74982227"
                           z3="8.47468"
                           zFract="0.38139874"/>
                     <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="4.23756"
                           xFract="0.50208057"
                           y3="6.32896"
                           yFract="0.74987678"
                           z3="6.37158"
                           zFract="0.28674977"/>
                     <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="6.33078"
                           xFract="0.75009242"
                           y3="4.27268"
                           yFract="0.50624171"
                           z3="6.36506"
                           zFract="0.28645635"/>
                     <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="4.19619"
                           xFract="0.49717891"
                           y3="4.20986"
                           yFract="0.49879858"
                           z3="4.24774"
                           zFract="0.19116742"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24077"
                           xFract="0.5024609"
                           y3="4.2442"
                           yFract="0.5028673"
                           z3="8.49203"
                           zFract="0.38217957"/>
                     <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="6.33729"
                           xFract="0.75086374"
                           y3="6.32942"
                           yFract="0.74993128"
                           z3="4.23165"
                           zFract="0.19044329"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28758"
                           xFract="0.74497393"
                           y3="6.32797"
                           yFract="0.74975948"
                           z3="8.51305"
                           zFract="0.38312556"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a71" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a48" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a75" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33687"
                           xFract="0.75081398"
                           y3="6.33156"
                           yFract="0.75018483"
                           z3="9.51524"
                           zFract="0.42822862"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.22392"
                           xFract="0.50046445"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="6.31214"
                           zFract="0.28407471"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32671"
                           xFract="0.74961019"
                           y3="6.34437"
                           yFract="0.75170261"
                           z3="6.23072"
                           zFract="0.28041044"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11245"
                           xFract="0.25029028"
                           y3="6.34343"
                           yFract="0.75159123"
                           z3="6.31317"
                           zFract="0.28412106"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="-0.00386"
                           xFract="-0.00045735"
                           y3="2.09496"
                           yFract="0.24821801"
                           z3="4.22645"
                           zFract="0.19020927"/>
                     <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="-0.01385"
                           xFract="-0.001641"
                           y3="2.10224"
                           yFract="0.24908057"
                           z3="8.41969"
                           zFract="0.37892394"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22131"
                           xFract="0.50015521"
                           y3="-0.00186"
                           yFract="-0.00022038"
                           z3="6.30482"
                           zFract="0.28374527"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08589"
                           xFract="0.24714336"
                           y3="0.00398"
                           yFract="0.00047156"
                           z3="8.38846"
                           zFract="0.37751845"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3551"
                           xFract="0.75297393"
                           y3="0.13066"
                           yFract="0.01548104"
                           z3="8.34669"
                           zFract="0.37563861"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10674"
                           xFract="0.24961374"
                           y3="2.08396"
                           yFract="0.24691469"
                           z3="6.31898"
                           zFract="0.28438254"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0122"
                           xFract="-0.0014455"
                           y3="4.2198"
                           yFract="0.4999763"
                           z3="6.31066"
                           zFract="0.2840081"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.10428"
                           xFract="0.4862891"
                           y3="6.33215"
                           yFract="0.75025474"
                           z3="8.34266"
                           zFract="0.37545725"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09747"
                           xFract="0.2485154"
                           y3="4.2158"
                           yFract="0.49950237"
                           z3="8.39885"
                           zFract="0.37798605"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12031"
                           xFract="0.25122156"
                           y3="4.23736"
                           yFract="0.50205687"
                           z3="4.21148"
                           zFract="0.18953555"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.34314"
                           xFract="0.75155687"
                           y3="4.08866"
                           yFract="0.48443839"
                           z3="8.35842"
                           zFract="0.37616652"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.23165"
                           xFract="0.50138033"
                           y3="2.10808"
                           yFract="0.24977251"
                           z3="8.38268"
                           zFract="0.37725833"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21946"
                           xFract="0.49993602"
                           y3="6.33679"
                           yFract="0.7508045"
                           z3="4.22458"
                           zFract="0.19012511"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00118"
                           xFract="0.00013981"
                           y3="0.00745"
                           yFract="0.0008827"
                           z3="6.31414"
                           zFract="0.28416472"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33037"
                           xFract="0.75004384"
                           y3="-0.00606"
                           yFract="-0.00071801"
                           z3="4.22673"
                           zFract="0.19022187"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10791"
                           xFract="0.24975237"
                           y3="-0.0101"
                           yFract="-0.00119668"
                           z3="4.22445"
                           zFract="0.19011926"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00028"
                           xFract="-0.00003318"
                           y3="6.3409"
                           yFract="0.75129147"
                           z3="4.21503"
                           zFract="0.18969532"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33457"
                           xFract="0.75054147"
                           y3="2.10101"
                           yFract="0.24893483"
                           z3="6.34095"
                           zFract="0.28537129"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13378"
                           xFract="0.01585071"
                           y3="6.34041"
                           yFract="0.75123341"
                           z3="8.39747"
                           zFract="0.37792394"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32297"
                           xFract="0.74916706"
                           y3="4.22544"
                           yFract="0.50064455"
                           z3="4.21104"
                           zFract="0.18951575"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2279"
                           xFract="0.50093602"
                           y3="2.0989"
                           yFract="0.24868483"
                           z3="4.22102"
                           zFract="0.1899649"/>
                     <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="0.0437"
                           xFract="0.00517773"
                           y3="2.1459"
                           yFract="0.25425355"
                           z3="6.30634"
                           zFract="0.28381368"/>
                     <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="2.15386"
                           xFract="0.25519668"
                           y3="-0.01168"
                           yFract="-0.00138389"
                           z3="6.36191"
                           zFract="0.28631458"/>
                     <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="0.00149"
                           xFract="0.00017654"
                           y3="0.04363"
                           yFract="0.00516943"
                           z3="4.2105"
                           zFract="0.18949145"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02568"
                           xFract="-0.00304265"
                           y3="-0.0304"
                           yFract="-0.0036019"
                           z3="8.50979"
                           zFract="0.38297885"/>
                     <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="2.04649"
                           xFract="0.24247512"
                           y3="2.15071"
                           yFract="0.25482346"
                           z3="4.21973"
                           zFract="0.18990684"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12739"
                           xFract="0.25206043"
                           y3="2.11183"
                           yFract="0.25021682"
                           z3="8.46398"
                           zFract="0.38091719"/>
                     <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="4.17109"
                           xFract="0.49420498"
                           y3="2.10975"
                           yFract="0.24997038"
                           z3="6.35389"
                           zFract="0.28595365"/>
                     <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="6.28744"
                           xFract="0.74495735"
                           y3="-0.0711"
                           yFract="-0.00842417"
                           z3="6.37331"
                           zFract="0.28682763"/>
                     <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="4.21874"
                           xFract="0.49985071"
                           y3="0.01119"
                           yFract="0.00132583"
                           z3="4.25282"
                           zFract="0.19139604"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24621"
                           xFract="0.50310545"
                           y3="-0.03183"
                           yFract="-0.00377133"
                           z3="8.50972"
                           zFract="0.3829757"/>
                     <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="6.39439"
                           xFract="0.75762915"
                           y3="2.11239"
                           yFract="0.25028318"
                           z3="4.21315"
                           zFract="0.18961071"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32417"
                           xFract="0.74930924"
                           y3="2.11204"
                           yFract="0.25024171"
                           z3="8.51038"
                           zFract="0.3830054"/>
                     <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="-0.02566"
                           xFract="-0.00304028"
                           y3="6.29787"
                           yFract="0.74619313"
                           z3="6.33804"
                           zFract="0.28524032"/>
                     <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="2.09971"
                           xFract="0.24878081"
                           y3="4.21663"
                           yFract="0.49960071"
                           z3="6.3312"
                           zFract="0.28493249"/>
                     <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="0.03453"
                           xFract="0.00409123"
                           y3="4.17923"
                           yFract="0.49516943"
                           z3="4.25555"
                           zFract="0.1915189"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02566"
                           xFract="-0.00304028"
                           y3="4.25019"
                           yFract="0.50357701"
                           z3="8.4670"
                           zFract="0.38105311"/>
                     <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="2.10027"
                           xFract="0.24884716"
                           y3="6.29934"
                           yFract="0.7463673"
                           z3="4.24639"
                           zFract="0.19110666"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13534"
                           xFract="0.25300237"
                           y3="6.32804"
                           yFract="0.74976777"
                           z3="8.48537"
                           zFract="0.38187984"/>
                     <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="4.2429"
                           xFract="0.50271327"
                           y3="6.32864"
                           yFract="0.74983886"
                           z3="6.38437"
                           zFract="0.28732538"/>
                     <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="6.33102"
                           xFract="0.75012085"
                           y3="4.28873"
                           yFract="0.50814336"
                           z3="6.37587"
                           zFract="0.28694284"/>
                     <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="4.18894"
                           xFract="0.49631991"
                           y3="4.20678"
                           yFract="0.49843365"
                           z3="4.25625"
                           zFract="0.19155041"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2471"
                           xFract="0.5032109"
                           y3="4.25157"
                           yFract="0.50374052"
                           z3="8.50801"
                           zFract="0.38289874"/>
                     <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="6.33951"
                           xFract="0.75112678"
                           y3="6.32925"
                           yFract="0.74991114"
                           z3="4.23526"
                           zFract="0.19060576"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27466"
                           xFract="0.74344313"
                           y3="6.32735"
                           yFract="0.74968602"
                           z3="8.53542"
                           zFract="0.38413231"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a16" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33933"
                           xFract="0.75110545"
                           y3="6.33256"
                           yFract="0.75030332"
                           z3="9.52632"
                           zFract="0.42872727"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.22181"
                           xFract="0.50021445"
                           y3="4.22363"
                           yFract="0.50043009"
                           z3="6.32783"
                           zFract="0.28478083"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33046"
                           xFract="0.7500545"
                           y3="6.34121"
                           yFract="0.7513282"
                           z3="6.23332"
                           zFract="0.28052745"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10981"
                           xFract="0.24997749"
                           y3="6.33512"
                           yFract="0.75060664"
                           z3="6.30211"
                           zFract="0.28362331"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00588"
                           xFract="0.00069668"
                           y3="2.10472"
                           yFract="0.24937441"
                           z3="4.22586"
                           zFract="0.19018272"/>
                     <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="0.00039"
                           xFract="0.00004621"
                           y3="2.10362"
                           yFract="0.24924408"
                           z3="8.4147"
                           zFract="0.37869937"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22598"
                           xFract="0.50070853"
                           y3="-0.00584"
                           yFract="-0.00069194"
                           z3="6.32289"
                           zFract="0.28455851"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08841"
                           xFract="0.24744194"
                           y3="0.01987"
                           yFract="0.00235427"
                           z3="8.3951"
                           zFract="0.37781728"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35316"
                           xFract="0.75274408"
                           y3="0.12552"
                           yFract="0.01487204"
                           z3="8.34229"
                           zFract="0.37544059"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10275"
                           xFract="0.249141"
                           y3="2.08564"
                           yFract="0.24711374"
                           z3="6.31652"
                           zFract="0.28427183"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0132"
                           xFract="-0.00156398"
                           y3="4.22377"
                           yFract="0.50044668"
                           z3="6.30923"
                           zFract="0.28394374"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.11661"
                           xFract="0.48775"
                           y3="6.33281"
                           yFract="0.75033294"
                           z3="8.3430"
                           zFract="0.37547255"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10049"
                           xFract="0.24887322"
                           y3="4.19882"
                           yFract="0.49749052"
                           z3="8.3913"
                           zFract="0.37764626"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11551"
                           xFract="0.25065284"
                           y3="4.23902"
                           yFract="0.50225355"
                           z3="4.2162"
                           zFract="0.18974797"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33971"
                           xFract="0.75115047"
                           y3="4.09637"
                           yFract="0.4853519"
                           z3="8.35308"
                           zFract="0.37592619"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21619"
                           xFract="0.49954858"
                           y3="2.10686"
                           yFract="0.24962796"
                           z3="8.38283"
                           zFract="0.37726508"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21268"
                           xFract="0.4991327"
                           y3="6.33724"
                           yFract="0.75085782"
                           z3="4.22939"
                           zFract="0.19034158"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00208"
                           xFract="-0.00024645"
                           y3="0.00903"
                           yFract="0.00106991"
                           z3="6.31213"
                           zFract="0.28407426"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3347"
                           xFract="0.75055687"
                           y3="0.00291"
                           yFract="0.00034479"
                           z3="4.23333"
                           zFract="0.1905189"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10397"
                           xFract="0.24928555"
                           y3="-0.01128"
                           yFract="-0.00133649"
                           z3="4.22319"
                           zFract="0.19006256"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00714"
                           xFract="0.00084597"
                           y3="6.34067"
                           yFract="0.75126422"
                           z3="4.21206"
                           zFract="0.18956166"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33556"
                           xFract="0.75065877"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="6.33328"
                           zFract="0.2850261"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.14049"
                           xFract="0.01664573"
                           y3="6.33996"
                           yFract="0.75118009"
                           z3="8.38395"
                           zFract="0.37731548"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32603"
                           xFract="0.74952962"
                           y3="4.22068"
                           yFract="0.50008057"
                           z3="4.21438"
                           zFract="0.18966607"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22731"
                           xFract="0.50086611"
                           y3="2.0969"
                           yFract="0.24844787"
                           z3="4.22351"
                           zFract="0.19007696"/>
                     <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="0.05701"
                           xFract="0.00675474"
                           y3="2.14541"
                           yFract="0.2541955"
                           z3="6.30762"
                           zFract="0.28387129"/>
                     <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="2.17049"
                           xFract="0.25716706"
                           y3="-0.0186"
                           yFract="-0.00220379"
                           z3="6.36196"
                           zFract="0.28631683"/>
                     <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="0.00319"
                           xFract="0.00037796"
                           y3="0.05792"
                           yFract="0.00686256"
                           z3="4.20937"
                           zFract="0.18944059"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02624"
                           xFract="-0.003109"
                           y3="-0.03275"
                           yFract="-0.00388033"
                           z3="8.52795"
                           zFract="0.38379613"/>
                     <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="2.03074"
                           xFract="0.240609"
                           y3="2.15679"
                           yFract="0.25554384"
                           z3="4.21309"
                           zFract="0.18960801"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11958"
                           xFract="0.25113507"
                           y3="2.10914"
                           yFract="0.2498981"
                           z3="8.46146"
                           zFract="0.38080378"/>
                     <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="4.1573"
                           xFract="0.49257109"
                           y3="2.10756"
                           yFract="0.2497109"
                           z3="6.35053"
                           zFract="0.28580243"/>
                     <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="6.27012"
                           xFract="0.74290521"
                           y3="-0.08968"
                           yFract="-0.01062559"
                           z3="6.35939"
                           zFract="0.28620117"/>
                     <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="4.21678"
                           xFract="0.49961848"
                           y3="0.01234"
                           yFract="0.00146209"
                           z3="4.26464"
                           zFract="0.19192799"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24494"
                           xFract="0.50295498"
                           y3="-0.02195"
                           yFract="-0.00260071"
                           z3="8.5172"
                           zFract="0.38331233"/>
                     <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="6.41129"
                           xFract="0.75963152"
                           y3="2.11478"
                           yFract="0.25056635"
                           z3="4.22283"
                           zFract="0.19004635"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32598"
                           xFract="0.7495237"
                           y3="2.10935"
                           yFract="0.24992299"
                           z3="8.52478"
                           zFract="0.38365347"/>
                     <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="-0.03044"
                           xFract="-0.00360664"
                           y3="6.29836"
                           yFract="0.74625118"
                           z3="6.33437"
                           zFract="0.28507516"/>
                     <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="2.10327"
                           xFract="0.24920261"
                           y3="4.22485"
                           yFract="0.50057464"
                           z3="6.33316"
                           zFract="0.2850207"/>
                     <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="0.03379"
                           xFract="0.00400355"
                           y3="4.16392"
                           yFract="0.49335545"
                           z3="4.25599"
                           zFract="0.1915387"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02575"
                           xFract="-0.00305095"
                           y3="4.2512"
                           yFract="0.50369668"
                           z3="8.4698"
                           zFract="0.38117912"/>
                     <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="2.09697"
                           xFract="0.24845616"
                           y3="6.2957"
                           yFract="0.74593602"
                           z3="4.25997"
                           zFract="0.19171782"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13338"
                           xFract="0.25277014"
                           y3="6.32887"
                           yFract="0.74986611"
                           z3="8.4992"
                           zFract="0.38250225"/>
                     <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="4.24505"
                           xFract="0.50296801"
                           y3="6.32963"
                           yFract="0.74995616"
                           z3="6.37204"
                           zFract="0.28677048"/>
                     <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="6.32714"
                           xFract="0.74966114"
                           y3="4.30844"
                           yFract="0.51047867"
                           z3="6.35977"
                           zFract="0.28621827"/>
                     <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="4.18792"
                           xFract="0.49619905"
                           y3="4.20166"
                           yFract="0.49782701"
                           z3="4.2651"
                           zFract="0.19194869"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24431"
                           xFract="0.50288033"
                           y3="4.24191"
                           yFract="0.50259597"
                           z3="8.51732"
                           zFract="0.38331773"/>
                     <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="6.34208"
                           xFract="0.75143128"
                           y3="6.32766"
                           yFract="0.74972275"
                           z3="4.2340"
                           zFract="0.19054905"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26575"
                           xFract="0.74238744"
                           y3="6.32728"
                           yFract="0.74967773"
                           z3="8.60694"
                           zFract="0.38735104"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33894"
                           xFract="0.75105924"
                           y3="6.33241"
                           yFract="0.75028555"
                           z3="9.5246"
                           zFract="0.42864986"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.22214"
                           xFract="0.50025355"
                           y3="4.22335"
                           yFract="0.50039692"
                           z3="6.32539"
                           zFract="0.28467102"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32987"
                           xFract="0.7499846"
                           y3="6.3417"
                           yFract="0.75138626"
                           z3="6.23292"
                           zFract="0.28050945"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11022"
                           xFract="0.25002607"
                           y3="6.33642"
                           yFract="0.75076066"
                           z3="6.30383"
                           zFract="0.28370072"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00436"
                           xFract="0.00051659"
                           y3="2.1032"
                           yFract="0.24919431"
                           z3="4.22596"
                           zFract="0.19018722"/>
                     <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="-0.00183"
                           xFract="-0.00021682"
                           y3="2.1034"
                           yFract="0.24921801"
                           z3="8.41548"
                           zFract="0.37873447"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22525"
                           xFract="0.50062204"
                           y3="-0.00522"
                           yFract="-0.00061848"
                           z3="6.32007"
                           zFract="0.28443159"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08801"
                           xFract="0.24739455"
                           y3="0.0174"
                           yFract="0.00206161"
                           z3="8.39406"
                           zFract="0.37777048"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35346"
                           xFract="0.75277962"
                           y3="0.12632"
                           yFract="0.01496682"
                           z3="8.34297"
                           zFract="0.3754712"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10338"
                           xFract="0.24921564"
                           y3="2.08538"
                           yFract="0.24708294"
                           z3="6.3169"
                           zFract="0.28428893"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01304"
                           xFract="-0.00154502"
                           y3="4.22316"
                           yFract="0.50037441"
                           z3="6.30946"
                           zFract="0.2839541"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.11469"
                           xFract="0.48752251"
                           y3="6.33271"
                           yFract="0.75032109"
                           z3="8.34295"
                           zFract="0.3754703"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10002"
                           xFract="0.24881754"
                           y3="4.20146"
                           yFract="0.49780332"
                           z3="8.39248"
                           zFract="0.37769937"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11626"
                           xFract="0.25074171"
                           y3="4.23877"
                           yFract="0.50222393"
                           z3="4.21547"
                           zFract="0.18971512"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.34025"
                           xFract="0.75121445"
                           y3="4.09517"
                           yFract="0.48520972"
                           z3="8.35391"
                           zFract="0.37596355"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2186"
                           xFract="0.49983412"
                           y3="2.10705"
                           yFract="0.24965047"
                           z3="8.3828"
                           zFract="0.37726373"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21373"
                           xFract="0.49925711"
                           y3="6.33717"
                           yFract="0.75084953"
                           z3="4.22865"
                           zFract="0.19030828"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00158"
                           xFract="-0.0001872"
                           y3="0.00879"
                           yFract="0.00104147"
                           z3="6.31245"
                           zFract="0.28408866"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33403"
                           xFract="0.75047749"
                           y3="0.00151"
                           yFract="0.00017891"
                           z3="4.2323"
                           zFract="0.19047255"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10459"
                           xFract="0.249359"
                           y3="-0.01109"
                           yFract="-0.00131398"
                           z3="4.22338"
                           zFract="0.19007111"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00598"
                           xFract="0.00070853"
                           y3="6.3407"
                           yFract="0.75126777"
                           z3="4.21252"
                           zFract="0.18958236"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33541"
                           xFract="0.750641"
                           y3="2.09666"
                           yFract="0.24841943"
                           z3="6.33448"
                           zFract="0.28508011"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13945"
                           xFract="0.01652251"
                           y3="6.34003"
                           yFract="0.75118839"
                           z3="8.38605"
                           zFract="0.37740999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32555"
                           xFract="0.74947275"
                           y3="4.22142"
                           yFract="0.50016825"
                           z3="4.21386"
                           zFract="0.18964266"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2274"
                           xFract="0.50087678"
                           y3="2.09721"
                           yFract="0.2484846"
                           z3="4.22312"
                           zFract="0.19005941"/>
                     <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="0.05494"
                           xFract="0.00650948"
                           y3="2.14549"
                           yFract="0.25420498"
                           z3="6.30742"
                           zFract="0.28386229"/>
                     <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="2.1679"
                           xFract="0.25686019"
                           y3="-0.01752"
                           yFract="-0.00207583"
                           z3="6.36195"
                           zFract="0.28631638"/>
                     <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="0.00293"
                           xFract="0.00034716"
                           y3="0.0557"
                           yFract="0.00659953"
                           z3="4.20954"
                           zFract="0.18944824"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02616"
                           xFract="-0.00309953"
                           y3="-0.03239"
                           yFract="-0.00383768"
                           z3="8.52512"
                           zFract="0.38366877"/>
                     <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="2.0332"
                           xFract="0.24090047"
                           y3="2.15584"
                           yFract="0.25543128"
                           z3="4.21412"
                           zFract="0.18965437"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12079"
                           xFract="0.25127844"
                           y3="2.10956"
                           yFract="0.24994787"
                           z3="8.46185"
                           zFract="0.38082133"/>
                     <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="4.15945"
                           xFract="0.49282583"
                           y3="2.1079"
                           yFract="0.24975118"
                           z3="6.35105"
                           zFract="0.28582583"/>
                     <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="6.27281"
                           xFract="0.74322393"
                           y3="-0.08679"
                           yFract="-0.01028318"
                           z3="6.36155"
                           zFract="0.28629838"/>
                     <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="4.21708"
                           xFract="0.49965403"
                           y3="0.01216"
                           yFract="0.00144076"
                           z3="4.2628"
                           zFract="0.19184518"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24514"
                           xFract="0.50297867"
                           y3="-0.02349"
                           yFract="-0.00278318"
                           z3="8.51604"
                           zFract="0.38326013"/>
                     <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="6.40866"
                           xFract="0.75931991"
                           y3="2.11441"
                           yFract="0.25052251"
                           z3="4.22132"
                           zFract="0.1899784"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3257"
                           xFract="0.74949052"
                           y3="2.10977"
                           yFract="0.24997275"
                           z3="8.52254"
                           zFract="0.38355266"/>
                     <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="-0.02969"
                           xFract="-0.00351777"
                           y3="6.29829"
                           yFract="0.74624289"
                           z3="6.33494"
                           zFract="0.28510081"/>
                     <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="2.10271"
                           xFract="0.24913626"
                           y3="4.22357"
                           yFract="0.50042299"
                           z3="6.33286"
                           zFract="0.2850072"/>
                     <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="0.03391"
                           xFract="0.00401777"
                           y3="4.16631"
                           yFract="0.49363863"
                           z3="4.25592"
                           zFract="0.19153555"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02574"
                           xFract="-0.00304976"
                           y3="4.25104"
                           yFract="0.50367773"
                           z3="8.46936"
                           zFract="0.38115932"/>
                     <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="2.09748"
                           xFract="0.24851659"
                           y3="6.29627"
                           yFract="0.74600355"
                           z3="4.25785"
                           zFract="0.19162241"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13368"
                           xFract="0.25280569"
                           y3="6.32874"
                           yFract="0.74985071"
                           z3="8.49704"
                           zFract="0.38240504"/>
                     <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="4.24472"
                           xFract="0.50292891"
                           y3="6.32948"
                           yFract="0.74993839"
                           z3="6.37396"
                           zFract="0.28685689"/>
                     <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="6.32774"
                           xFract="0.74973223"
                           y3="4.30537"
                           yFract="0.51011493"
                           z3="6.36227"
                           zFract="0.28633078"/>
                     <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="4.18808"
                           xFract="0.49621801"
                           y3="4.20246"
                           yFract="0.4979218"
                           z3="4.26372"
                           zFract="0.19188659"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24474"
                           xFract="0.50293128"
                           y3="4.24341"
                           yFract="0.5027737"
                           z3="8.51587"
                           zFract="0.38325248"/>
                     <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="6.34168"
                           xFract="0.75138389"
                           y3="6.32791"
                           yFract="0.74975237"
                           z3="4.2342"
                           zFract="0.19055806"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26714"
                           xFract="0.74255213"
                           y3="6.32729"
                           yFract="0.74967891"
                           z3="8.5958"
                           zFract="0.38684968"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a16" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34099"
                           xFract="0.75130213"
                           y3="6.33285"
                           yFract="0.75033768"
                           z3="9.54261"
                           zFract="0.4294604"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.22147"
                           xFract="0.50017417"
                           y3="4.22372"
                           yFract="0.50044076"
                           z3="6.33075"
                           zFract="0.28491224"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33109"
                           xFract="0.75012915"
                           y3="6.34048"
                           yFract="0.75124171"
                           z3="6.23434"
                           zFract="0.28057336"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10942"
                           xFract="0.24993128"
                           y3="6.33377"
                           yFract="0.75044668"
                           z3="6.30088"
                           zFract="0.28356796"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.00767"
                           xFract="0.00090877"
                           y3="2.10651"
                           yFract="0.24958649"
                           z3="4.22564"
                           zFract="0.19017282"/>
                     <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="0.00264"
                           xFract="0.0003128"
                           y3="2.10387"
                           yFract="0.2492737"
                           z3="8.41399"
                           zFract="0.37866742"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22652"
                           xFract="0.50077251"
                           y3="-0.00644"
                           yFract="-0.00076303"
                           z3="6.32649"
                           zFract="0.28472052"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08889"
                           xFract="0.24749882"
                           y3="0.02218"
                           yFract="0.00262796"
                           z3="8.39678"
                           zFract="0.37789289"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35276"
                           xFract="0.75269668"
                           y3="0.12373"
                           yFract="0.01465995"
                           z3="8.34233"
                           zFract="0.37544239"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10214"
                           xFract="0.24906872"
                           y3="2.08588"
                           yFract="0.24714218"
                           z3="6.31577"
                           zFract="0.28423807"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0134"
                           xFract="-0.00158768"
                           y3="4.22441"
                           yFract="0.50052251"
                           z3="6.30928"
                           zFract="0.28394599"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.11925"
                           xFract="0.4880628"
                           y3="6.33292"
                           yFract="0.75034597"
                           z3="8.34394"
                           zFract="0.37551485"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10105"
                           xFract="0.24893957"
                           y3="4.1963"
                           yFract="0.49719194"
                           z3="8.39055"
                           zFract="0.37761251"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11479"
                           xFract="0.25056754"
                           y3="4.23915"
                           yFract="0.50226896"
                           z3="4.21701"
                           zFract="0.18978443"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33899"
                           xFract="0.75106517"
                           y3="4.09847"
                           yFract="0.48560071"
                           z3="8.35275"
                           zFract="0.37591134"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21376"
                           xFract="0.49926066"
                           y3="2.10662"
                           yFract="0.24959953"
                           z3="8.38341"
                           zFract="0.37729118"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21161"
                           xFract="0.49900592"
                           y3="6.33722"
                           yFract="0.75085545"
                           z3="4.2302"
                           zFract="0.19037804"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00258"
                           xFract="-0.00030569"
                           y3="0.00935"
                           yFract="0.00110782"
                           z3="6.31198"
                           zFract="0.28406751"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33549"
                           xFract="0.75065047"
                           y3="0.00456"
                           yFract="0.00054028"
                           z3="4.23448"
                           zFract="0.19057066"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10332"
                           xFract="0.24920853"
                           y3="-0.01137"
                           yFract="-0.00134716"
                           z3="4.22299"
                           zFract="0.19005356"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00831"
                           xFract="0.0009846"
                           y3="6.34062"
                           yFract="0.75125829"
                           z3="4.21144"
                           zFract="0.18953375"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33562"
                           xFract="0.75066588"
                           y3="2.09483"
                           yFract="0.24820261"
                           z3="6.33198"
                           zFract="0.2849676"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.14094"
                           xFract="0.01669905"
                           y3="6.3399"
                           yFract="0.75117299"
                           z3="8.38198"
                           zFract="0.37722682"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32641"
                           xFract="0.74957464"
                           y3="4.21997"
                           yFract="0.49999645"
                           z3="4.21495"
                           zFract="0.18969172"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22706"
                           xFract="0.50083649"
                           y3="2.09659"
                           yFract="0.24841114"
                           z3="4.22402"
                           zFract="0.19009991"/>
                     <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="0.05914"
                           xFract="0.00700711"
                           y3="2.1451"
                           yFract="0.25415877"
                           z3="6.30818"
                           zFract="0.28389649"/>
                     <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="2.17346"
                           xFract="0.25751896"
                           y3="-0.01982"
                           yFract="-0.00234834"
                           z3="6.36189"
                           zFract="0.28631368"/>
                     <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="0.00368"
                           xFract="0.00043602"
                           y3="0.06071"
                           yFract="0.00719313"
                           z3="4.20919"
                           zFract="0.18943249"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02619"
                           xFract="-0.00310308"
                           y3="-0.03293"
                           yFract="-0.00390166"
                           z3="8.5307"
                           zFract="0.38391989"/>
                     <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="2.02818"
                           xFract="0.24030569"
                           y3="2.15778"
                           yFract="0.25566114"
                           z3="4.21182"
                           zFract="0.18955086"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11803"
                           xFract="0.25095142"
                           y3="2.1087"
                           yFract="0.24984597"
                           z3="8.46076"
                           zFract="0.38077228"/>
                     <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="4.15504"
                           xFract="0.49230332"
                           y3="2.10722"
                           yFract="0.24967062"
                           z3="6.34977"
                           zFract="0.28576823"/>
                     <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="6.26694"
                           xFract="0.74252844"
                           y3="-0.09294"
                           yFract="-0.01101185"
                           z3="6.35701"
                           zFract="0.28609406"/>
                     <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="4.21632"
                           xFract="0.49956398"
                           y3="0.01269"
                           yFract="0.00150355"
                           z3="4.26666"
                           zFract="0.1920189"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24442"
                           xFract="0.50289336"
                           y3="-0.01985"
                           yFract="-0.0023519"
                           z3="8.51799"
                           zFract="0.38334788"/>
                     <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="6.41431"
                           xFract="0.75998934"
                           y3="2.11528"
                           yFract="0.25062559"
                           z3="4.22487"
                           zFract="0.19013816"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3264"
                           xFract="0.74957346"
                           y3="2.10907"
                           yFract="0.24988981"
                           z3="8.52637"
                           zFract="0.38372502"/>
                     <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="-0.03126"
                           xFract="-0.00370379"
                           y3="6.29882"
                           yFract="0.74630569"
                           z3="6.33324"
                           zFract="0.2850243"/>
                     <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="2.10385"
                           xFract="0.24927133"
                           y3="4.22618"
                           yFract="0.50073223"
                           z3="6.33352"
                           zFract="0.2850369"/>
                     <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="0.03358"
                           xFract="0.00397867"
                           y3="4.1612"
                           yFract="0.49303318"
                           z3="4.25584"
                           zFract="0.19153195"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02561"
                           xFract="-0.00303436"
                           y3="4.2511"
                           yFract="0.50368483"
                           z3="8.46975"
                           zFract="0.38117687"/>
                     <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="2.09624"
                           xFract="0.24836967"
                           y3="6.29505"
                           yFract="0.745859"
                           z3="4.26217"
                           zFract="0.19181683"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1335"
                           xFract="0.25278436"
                           y3="6.32897"
                           yFract="0.74987796"
                           z3="8.50127"
                           zFract="0.38259541"/>
                     <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="4.24543"
                           xFract="0.50301303"
                           y3="6.32972"
                           yFract="0.74996682"
                           z3="6.36975"
                           zFract="0.28666742"/>
                     <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="6.32646"
                           xFract="0.74958057"
                           y3="4.31181"
                           yFract="0.51087796"
                           z3="6.35709"
                           zFract="0.28609766"/>
                     <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="4.18786"
                           xFract="0.49619194"
                           y3="4.20055"
                           yFract="0.4976955"
                           z3="4.26658"
                           zFract="0.1920153"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24346"
                           xFract="0.50277962"
                           y3="4.23979"
                           yFract="0.50234479"
                           z3="8.51834"
                           zFract="0.38336364"/>
                     <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="6.34268"
                           xFract="0.75150237"
                           y3="6.32745"
                           yFract="0.74969787"
                           z3="4.23341"
                           zFract="0.1905225"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26309"
                           xFract="0.74207227"
                           y3="6.32718"
                           yFract="0.74966588"
                           z3="8.60624"
                           zFract="0.38731953"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a45" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34713"
                           xFract="0.75202962"
                           y3="6.33419"
                           yFract="0.75049645"
                           z3="9.59663"
                           zFract="0.43189154"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21948"
                           xFract="0.49993839"
                           y3="4.22482"
                           yFract="0.50057109"
                           z3="6.34684"
                           zFract="0.28563636"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33472"
                           xFract="0.75055924"
                           y3="6.33683"
                           yFract="0.75080924"
                           z3="6.2386"
                           zFract="0.28076508"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10704"
                           xFract="0.24964929"
                           y3="6.32582"
                           yFract="0.74950474"
                           z3="6.29203"
                           zFract="0.28316967"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01757"
                           xFract="0.00208175"
                           y3="2.11642"
                           yFract="0.25076066"
                           z3="4.22469"
                           zFract="0.19013006"/>
                     <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="0.01606"
                           xFract="0.00190284"
                           y3="2.10527"
                           yFract="0.24943957"
                           z3="8.40954"
                           zFract="0.37846715"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.23033"
                           xFract="0.50122393"
                           y3="-0.0101"
                           yFract="-0.00119668"
                           z3="6.34572"
                           zFract="0.28558596"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09153"
                           xFract="0.24781161"
                           y3="0.03654"
                           yFract="0.00432938"
                           z3="8.40495"
                           zFract="0.37826058"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35065"
                           xFract="0.75244668"
                           y3="0.11595"
                           yFract="0.01373815"
                           z3="8.34039"
                           zFract="0.37535509"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09842"
                           xFract="0.24862796"
                           y3="2.08737"
                           yFract="0.24731872"
                           z3="6.31236"
                           zFract="0.28408461"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01447"
                           xFract="-0.00171445"
                           y3="4.22819"
                           yFract="0.50097038"
                           z3="6.30876"
                           zFract="0.28392259"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13295"
                           xFract="0.48968602"
                           y3="6.33354"
                           yFract="0.75041943"
                           z3="8.34692"
                           zFract="0.37564896"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10415"
                           xFract="0.24930687"
                           y3="4.18083"
                           yFract="0.495359"
                           z3="8.38477"
                           zFract="0.37735239"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11038"
                           xFract="0.25004502"
                           y3="4.24029"
                           yFract="0.50240403"
                           z3="4.22164"
                           zFract="0.1899928"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33524"
                           xFract="0.75062085"
                           y3="4.10836"
                           yFract="0.48677251"
                           z3="8.34928"
                           zFract="0.37575518"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19926"
                           xFract="0.49754265"
                           y3="2.10535"
                           yFract="0.24944905"
                           z3="8.38522"
                           zFract="0.37737264"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20525"
                           xFract="0.49825237"
                           y3="6.33736"
                           yFract="0.75087204"
                           z3="4.23486"
                           zFract="0.19058776"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00559"
                           xFract="-0.00066232"
                           y3="0.01104"
                           yFract="0.00130806"
                           z3="6.31057"
                           zFract="0.28400405"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33989"
                           xFract="0.7511718"
                           y3="0.01371"
                           yFract="0.00162441"
                           z3="4.24103"
                           zFract="0.19086544"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09954"
                           xFract="0.24876066"
                           y3="-0.01218"
                           yFract="-0.00144313"
                           z3="4.22183"
                           zFract="0.19000135"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01527"
                           xFract="0.00180924"
                           y3="6.34036"
                           yFract="0.75122749"
                           z3="4.2082"
                           zFract="0.18938794"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33628"
                           xFract="0.75074408"
                           y3="2.08936"
                           yFract="0.2475545"
                           z3="6.32447"
                           zFract="0.28462961"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.1454"
                           xFract="0.01722749"
                           y3="6.33951"
                           yFract="0.75112678"
                           z3="8.36975"
                           zFract="0.37667642"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32899"
                           xFract="0.74988033"
                           y3="4.2156"
                           yFract="0.49947867"
                           z3="4.21824"
                           zFract="0.18983978"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22602"
                           xFract="0.50071327"
                           y3="2.09471"
                           yFract="0.24818839"
                           z3="4.22674"
                           zFract="0.19022232"/>
                     <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="0.07175"
                           xFract="0.00850118"
                           y3="2.14393"
                           yFract="0.25402014"
                           z3="6.31045"
                           zFract="0.28399865"/>
                     <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="2.19015"
                           xFract="0.25949645"
                           y3="-0.02672"
                           yFract="-0.00316588"
                           z3="6.36173"
                           zFract="0.28630648"/>
                     <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="0.00594"
                           xFract="0.00070379"
                           y3="0.07575"
                           yFract="0.00897512"
                           z3="4.20813"
                           zFract="0.18938479"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02628"
                           xFract="-0.00311374"
                           y3="-0.03455"
                           yFract="-0.0040936"
                           z3="8.54742"
                           zFract="0.38467237"/>
                     <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="2.01313"
                           xFract="0.23852251"
                           y3="2.16361"
                           yFract="0.2563519"
                           z3="4.20492"
                           zFract="0.18924032"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10976"
                           xFract="0.24997156"
                           y3="2.10611"
                           yFract="0.2495391"
                           z3="8.45751"
                           zFract="0.38062601"/>
                     <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="4.14183"
                           xFract="0.49073815"
                           y3="2.10518"
                           yFract="0.24942891"
                           z3="6.34593"
                           zFract="0.28559541"/>
                     <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="6.24933"
                           xFract="0.74044194"
                           y3="-0.11137"
                           yFract="-0.0131955"
                           z3="6.34338"
                           zFract="0.28548065"/>
                     <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="4.21405"
                           xFract="0.49929502"
                           y3="0.01429"
                           yFract="0.00169313"
                           z3="4.27824"
                           zFract="0.19254005"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24225"
                           xFract="0.50263626"
                           y3="-0.00891"
                           yFract="-0.00105569"
                           z3="8.52385"
                           zFract="0.38361161"/>
                     <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="6.43127"
                           xFract="0.76199882"
                           y3="2.11789"
                           yFract="0.25093483"
                           z3="4.23551"
                           zFract="0.19061701"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32852"
                           xFract="0.74982464"
                           y3="2.10697"
                           yFract="0.249641"
                           z3="8.53786"
                           zFract="0.38424212"/>
                     <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="-0.03594"
                           xFract="-0.00425829"
                           y3="6.30042"
                           yFract="0.74649526"
                           z3="6.32816"
                           zFract="0.28479568"/>
                     <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="2.10725"
                           xFract="0.24967417"
                           y3="4.23402"
                           yFract="0.50166114"
                           z3="6.33553"
                           zFract="0.28512736"/>
                     <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="0.03258"
                           xFract="0.00386019"
                           y3="4.1459"
                           yFract="0.49122038"
                           z3="4.25558"
                           zFract="0.19152025"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02522"
                           xFract="-0.00298815"
                           y3="4.25126"
                           yFract="0.50370379"
                           z3="8.47089"
                           zFract="0.38122817"/>
                     <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="2.09252"
                           xFract="0.24792891"
                           y3="6.29137"
                           yFract="0.74542299"
                           z3="4.27514"
                           zFract="0.19240054"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13295"
                           xFract="0.25271919"
                           y3="6.32967"
                           yFract="0.7499609"
                           z3="8.51395"
                           zFract="0.38316607"/>
                     <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="4.24755"
                           xFract="0.50326422"
                           y3="6.33045"
                           yFract="0.75005332"
                           z3="6.35712"
                           zFract="0.28609901"/>
                     <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="6.32262"
                           xFract="0.74912559"
                           y3="4.33114"
                           yFract="0.51316825"
                           z3="6.34154"
                           zFract="0.28539784"/>
                     <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="4.18722"
                           xFract="0.49611611"
                           y3="4.19482"
                           yFract="0.49701659"
                           z3="4.27515"
                           zFract="0.19240099"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23959"
                           xFract="0.50232109"
                           y3="4.2289"
                           yFract="0.5010545"
                           z3="8.52578"
                           zFract="0.38369847"/>
                     <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="6.34567"
                           xFract="0.75185664"
                           y3="6.32609"
                           yFract="0.74953673"
                           z3="4.23106"
                           zFract="0.19041674"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25093"
                           xFract="0.74063152"
                           y3="6.32686"
                           yFract="0.74962796"
                           z3="8.63755"
                           zFract="0.38872862"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34992"
                           xFract="0.75236019"
                           y3="6.3348"
                           yFract="0.75056872"
                           z3="9.62126"
                           zFract="0.4330"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21857"
                           xFract="0.49983057"
                           y3="4.22532"
                           yFract="0.50063033"
                           z3="6.35418"
                           zFract="0.2859667"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33638"
                           xFract="0.75075592"
                           y3="6.33517"
                           yFract="0.75061256"
                           z3="6.24055"
                           zFract="0.28085284"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10595"
                           xFract="0.24952014"
                           y3="6.3222"
                           yFract="0.74907583"
                           z3="6.28799"
                           zFract="0.28298785"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02208"
                           xFract="0.00261611"
                           y3="2.12093"
                           yFract="0.25129502"
                           z3="4.22426"
                           zFract="0.19011071"/>
                     <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="0.02218"
                           xFract="0.00262796"
                           y3="2.10591"
                           yFract="0.2495154"
                           z3="8.40751"
                           zFract="0.37837579"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.23207"
                           xFract="0.50143009"
                           y3="-0.01176"
                           yFract="-0.00139336"
                           z3="6.35449"
                           zFract="0.28598065"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09273"
                           xFract="0.24795379"
                           y3="0.04308"
                           yFract="0.00510427"
                           z3="8.40867"
                           zFract="0.37842799"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34969"
                           xFract="0.75233294"
                           y3="0.1124"
                           yFract="0.01331754"
                           z3="8.33951"
                           zFract="0.37531548"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09673"
                           xFract="0.24842773"
                           y3="2.08805"
                           yFract="0.24739929"
                           z3="6.31081"
                           zFract="0.28401485"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01495"
                           xFract="-0.00177133"
                           y3="4.22991"
                           yFract="0.50117417"
                           z3="6.30852"
                           zFract="0.28391179"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13919"
                           xFract="0.49042536"
                           y3="6.33382"
                           yFract="0.75045261"
                           z3="8.34827"
                           zFract="0.37570972"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10556"
                           xFract="0.24947393"
                           y3="4.17377"
                           yFract="0.49452251"
                           z3="8.38214"
                           zFract="0.37723402"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.10837"
                           xFract="0.24980687"
                           y3="4.24081"
                           yFract="0.50246564"
                           z3="4.22374"
                           zFract="0.19008731"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33353"
                           xFract="0.75041825"
                           y3="4.11288"
                           yFract="0.48730806"
                           z3="8.3477"
                           zFract="0.37568407"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19265"
                           xFract="0.49675948"
                           y3="2.10478"
                           yFract="0.24938152"
                           z3="8.38605"
                           zFract="0.37740999"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20235"
                           xFract="0.49790877"
                           y3="6.33743"
                           yFract="0.75088033"
                           z3="4.23699"
                           zFract="0.19068362"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00696"
                           xFract="-0.00082464"
                           y3="0.01181"
                           yFract="0.00139929"
                           z3="6.30993"
                           zFract="0.28397525"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34189"
                           xFract="0.75140877"
                           y3="0.01788"
                           yFract="0.00211848"
                           z3="4.24401"
                           zFract="0.19099955"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09781"
                           xFract="0.24855569"
                           y3="-0.01256"
                           yFract="-0.00148815"
                           z3="4.2213"
                           zFract="0.1899775"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01845"
                           xFract="0.00218602"
                           y3="6.34025"
                           yFract="0.75121445"
                           z3="4.20672"
                           zFract="0.18932133"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33658"
                           xFract="0.75077962"
                           y3="2.08687"
                           yFract="0.24725948"
                           z3="6.32106"
                           zFract="0.28447615"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.14743"
                           xFract="0.01746801"
                           y3="6.33934"
                           yFract="0.75110664"
                           z3="8.36418"
                           zFract="0.37642574"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33016"
                           xFract="0.75001896"
                           y3="4.21361"
                           yFract="0.49924289"
                           z3="4.21973"
                           zFract="0.18990684"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22554"
                           xFract="0.5006564"
                           y3="2.09385"
                           yFract="0.24808649"
                           z3="4.22798"
                           zFract="0.19027813"/>
                     <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="0.0775"
                           xFract="0.00918246"
                           y3="2.14339"
                           yFract="0.25395616"
                           z3="6.31149"
                           zFract="0.28404545"/>
                     <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="2.19776"
                           xFract="0.2603981"
                           y3="-0.02986"
                           yFract="-0.00353791"
                           z3="6.36166"
                           zFract="0.28630333"/>
                     <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="0.00697"
                           xFract="0.00082583"
                           y3="0.08261"
                           yFract="0.00978791"
                           z3="4.20764"
                           zFract="0.18936274"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02632"
                           xFract="-0.00311848"
                           y3="-0.03529"
                           yFract="-0.00418128"
                           z3="8.55505"
                           zFract="0.38501575"/>
                     <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="2.00627"
                           xFract="0.23770972"
                           y3="2.16626"
                           yFract="0.25666588"
                           z3="4.20177"
                           zFract="0.18909856"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10598"
                           xFract="0.2495237"
                           y3="2.10493"
                           yFract="0.24939929"
                           z3="8.45602"
                           zFract="0.38055896"/>
                     <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="4.1358"
                           xFract="0.4900237"
                           y3="2.10425"
                           yFract="0.24931872"
                           z3="6.34419"
                           zFract="0.2855171"/>
                     <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="6.2413"
                           xFract="0.73949052"
                           y3="-0.11978"
                           yFract="-0.01419194"
                           z3="6.33716"
                           zFract="0.28520072"/>
                     <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="4.21301"
                           xFract="0.4991718"
                           y3="0.01502"
                           yFract="0.00177962"
                           z3="4.28352"
                           zFract="0.19277768"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24127"
                           xFract="0.50252014"
                           y3="-0.00393"
                           yFract="-0.00046564"
                           z3="8.52652"
                           zFract="0.38373177"/>
                     <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="6.4390"
                           xFract="0.76291469"
                           y3="2.11907"
                           yFract="0.25107464"
                           z3="4.24036"
                           zFract="0.19083528"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32948"
                           xFract="0.74993839"
                           y3="2.10601"
                           yFract="0.24952725"
                           z3="8.5431"
                           zFract="0.38447795"/>
                     <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="-0.03807"
                           xFract="-0.00451066"
                           y3="6.30115"
                           yFract="0.74658175"
                           z3="6.32584"
                           zFract="0.28469127"/>
                     <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="2.10881"
                           xFract="0.249859"
                           y3="4.23759"
                           yFract="0.50208412"
                           z3="6.33644"
                           zFract="0.28516832"/>
                     <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="0.03212"
                           xFract="0.00380569"
                           y3="4.13893"
                           yFract="0.49039455"
                           z3="4.25547"
                           zFract="0.1915153"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02504"
                           xFract="-0.00296682"
                           y3="4.25133"
                           yFract="0.50371209"
                           z3="8.47142"
                           zFract="0.38125203"/>
                     <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="2.09083"
                           xFract="0.24772867"
                           y3="6.2897"
                           yFract="0.74522512"
                           z3="4.28105"
                           zFract="0.19266652"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13271"
                           xFract="0.25269076"
                           y3="6.32999"
                           yFract="0.74999882"
                           z3="8.51973"
                           zFract="0.38342619"/>
                     <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="4.24852"
                           xFract="0.50337915"
                           y3="6.33078"
                           yFract="0.75009242"
                           z3="6.35137"
                           zFract="0.28584023"/>
                     <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="6.32087"
                           xFract="0.74891825"
                           y3="4.33995"
                           yFract="0.51421209"
                           z3="6.33446"
                           zFract="0.28507921"/>
                     <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="4.18693"
                           xFract="0.49608175"
                           y3="4.19221"
                           yFract="0.49670735"
                           z3="4.27906"
                           zFract="0.19257696"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23783"
                           xFract="0.50211256"
                           y3="4.22394"
                           yFract="0.50046682"
                           z3="8.52916"
                           zFract="0.38385059"/>
                     <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="6.34704"
                           xFract="0.75201896"
                           y3="6.32547"
                           yFract="0.74946327"
                           z3="4.22998"
                           zFract="0.19036814"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.24539"
                           xFract="0.73997512"
                           y3="6.32672"
                           yFract="0.74961137"
                           z3="8.65182"
                           zFract="0.38937084"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.35143"
                           xFract="0.7525391"
                           y3="6.33514"
                           yFract="0.750609"
                           z3="9.63089"
                           zFract="0.43343339"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21858"
                           xFract="0.49983175"
                           y3="4.22433"
                           yFract="0.50051303"
                           z3="6.35569"
                           zFract="0.28603465"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33624"
                           xFract="0.75073934"
                           y3="6.33497"
                           yFract="0.75058886"
                           z3="6.24022"
                           zFract="0.28083798"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10643"
                           xFract="0.24957701"
                           y3="6.32277"
                           yFract="0.74914336"
                           z3="6.29084"
                           zFract="0.28311611"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02224"
                           xFract="0.00263507"
                           y3="2.12116"
                           yFract="0.25132227"
                           z3="4.22376"
                           zFract="0.19008821"/>
                     <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="0.02103"
                           xFract="0.00249171"
                           y3="2.10574"
                           yFract="0.24949526"
                           z3="8.40749"
                           zFract="0.37837489"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2306"
                           xFract="0.50125592"
                           y3="-0.01163"
                           yFract="-0.00137796"
                           z3="6.3571"
                           zFract="0.28609811"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09236"
                           xFract="0.24790995"
                           y3="0.04155"
                           yFract="0.00492299"
                           z3="8.41049"
                           zFract="0.3785099"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35007"
                           xFract="0.75237796"
                           y3="0.11137"
                           yFract="0.0131955"
                           z3="8.34079"
                           zFract="0.37537309"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0970"
                           xFract="0.24845972"
                           y3="2.08703"
                           yFract="0.24727844"
                           z3="6.30864"
                           zFract="0.28391719"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01552"
                           xFract="-0.00183886"
                           y3="4.22989"
                           yFract="0.5011718"
                           z3="6.30937"
                           zFract="0.28395005"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13884"
                           xFract="0.49038389"
                           y3="6.33386"
                           yFract="0.75045735"
                           z3="8.34997"
                           zFract="0.37578623"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10554"
                           xFract="0.24947156"
                           y3="4.17494"
                           yFract="0.49466114"
                           z3="8.38348"
                           zFract="0.37729433"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.10907"
                           xFract="0.24988981"
                           y3="4.24064"
                           yFract="0.5024455"
                           z3="4.22362"
                           zFract="0.19008191"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33307"
                           xFract="0.75036374"
                           y3="4.11334"
                           yFract="0.48736256"
                           z3="8.34815"
                           zFract="0.37570432"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19353"
                           xFract="0.49686374"
                           y3="2.10464"
                           yFract="0.24936493"
                           z3="8.38721"
                           zFract="0.3774622"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20251"
                           xFract="0.49792773"
                           y3="6.33718"
                           yFract="0.75085071"
                           z3="4.23717"
                           zFract="0.19069172"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00679"
                           xFract="-0.0008045"
                           y3="0.01235"
                           yFract="0.00146327"
                           z3="6.3103"
                           zFract="0.2839919"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3423"
                           xFract="0.75145735"
                           y3="0.01869"
                           yFract="0.00221445"
                           z3="4.24447"
                           zFract="0.19102025"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09782"
                           xFract="0.24855687"
                           y3="-0.01246"
                           yFract="-0.0014763"
                           z3="4.22146"
                           zFract="0.1899847"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01822"
                           xFract="0.00215877"
                           y3="6.34056"
                           yFract="0.75125118"
                           z3="4.20566"
                           zFract="0.18927363"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33626"
                           xFract="0.75074171"
                           y3="2.08554"
                           yFract="0.2471019"
                           z3="6.32125"
                           zFract="0.2844847"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.14824"
                           xFract="0.01756398"
                           y3="6.33981"
                           yFract="0.75116232"
                           z3="8.36402"
                           zFract="0.37641854"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32919"
                           xFract="0.74990403"
                           y3="4.21409"
                           yFract="0.49929976"
                           z3="4.21952"
                           zFract="0.18989739"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2250"
                           xFract="0.50059242"
                           y3="2.09348"
                           yFract="0.24804265"
                           z3="4.22856"
                           zFract="0.19030423"/>
                     <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="0.07817"
                           xFract="0.00926185"
                           y3="2.14322"
                           yFract="0.25393602"
                           z3="6.31273"
                           zFract="0.28410126"/>
                     <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="2.20064"
                           xFract="0.26073934"
                           y3="-0.03083"
                           yFract="-0.00365284"
                           z3="6.36258"
                           zFract="0.28634473"/>
                     <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="0.0083"
                           xFract="0.00098341"
                           y3="0.08699"
                           yFract="0.01030687"
                           z3="4.20745"
                           zFract="0.18935419"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02635"
                           xFract="-0.00312204"
                           y3="-0.0354"
                           yFract="-0.00419431"
                           z3="8.5562"
                           zFract="0.38506751"/>
                     <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="2.00457"
                           xFract="0.23750829"
                           y3="2.16762"
                           yFract="0.25682701"
                           z3="4.20075"
                           zFract="0.18905266"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10538"
                           xFract="0.24945261"
                           y3="2.10502"
                           yFract="0.24940995"
                           z3="8.45523"
                           zFract="0.3805234"/>
                     <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="4.13447"
                           xFract="0.48986611"
                           y3="2.10435"
                           yFract="0.24933057"
                           z3="6.3440"
                           zFract="0.28550855"/>
                     <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="6.23857"
                           xFract="0.73916706"
                           y3="-0.12262"
                           yFract="-0.01452844"
                           z3="6.33808"
                           zFract="0.28524212"/>
                     <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="4.21216"
                           xFract="0.49907109"
                           y3="0.0164"
                           yFract="0.00194313"
                           z3="4.28508"
                           zFract="0.19284788"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24033"
                           xFract="0.50240877"
                           y3="-0.0023"
                           yFract="-0.00027251"
                           z3="8.52656"
                           zFract="0.38373357"/>
                     <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="6.44298"
                           xFract="0.76338626"
                           y3="2.11978"
                           yFract="0.25115877"
                           z3="4.24236"
                           zFract="0.19092529"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33009"
                           xFract="0.75001066"
                           y3="2.10671"
                           yFract="0.24961019"
                           z3="8.54118"
                           zFract="0.38439154"/>
                     <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="-0.0388"
                           xFract="-0.00459716"
                           y3="6.30235"
                           yFract="0.74672393"
                           z3="6.3230"
                           zFract="0.28456346"/>
                     <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="2.10839"
                           xFract="0.24980924"
                           y3="4.23734"
                           yFract="0.5020545"
                           z3="6.33674"
                           zFract="0.28518182"/>
                     <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="0.03259"
                           xFract="0.00386137"
                           y3="4.1365"
                           yFract="0.49010664"
                           z3="4.2555"
                           zFract="0.19151665"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02501"
                           xFract="-0.00296327"
                           y3="4.25105"
                           yFract="0.50367891"
                           z3="8.46943"
                           zFract="0.38116247"/>
                     <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="2.08939"
                           xFract="0.24755806"
                           y3="6.28852"
                           yFract="0.74508531"
                           z3="4.28158"
                           zFract="0.19269037"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13546"
                           xFract="0.25301659"
                           y3="6.32976"
                           yFract="0.74997156"
                           z3="8.52042"
                           zFract="0.38345725"/>
                     <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="4.24901"
                           xFract="0.5034372"
                           y3="6.33027"
                           yFract="0.75003199"
                           z3="6.35139"
                           zFract="0.28584113"/>
                     <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="6.32065"
                           xFract="0.74889218"
                           y3="4.34192"
                           yFract="0.5144455"
                           z3="6.33533"
                           zFract="0.28511836"/>
                     <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="4.18668"
                           xFract="0.49605213"
                           y3="4.19009"
                           yFract="0.49645616"
                           z3="4.28032"
                           zFract="0.19263366"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23648"
                           xFract="0.50195261"
                           y3="4.22197"
                           yFract="0.50023341"
                           z3="8.52875"
                           zFract="0.38383213"/>
                     <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="6.34847"
                           xFract="0.75218839"
                           y3="6.32568"
                           yFract="0.74948815"
                           z3="4.22862"
                           zFract="0.19030693"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.24317"
                           xFract="0.73971209"
                           y3="6.32652"
                           yFract="0.74958768"
                           z3="8.66148"
                           zFract="0.38980558"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.35597"
                           xFract="0.75307701"
                           y3="6.33617"
                           yFract="0.75073104"
                           z3="9.6598"
                           zFract="0.43473447"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21859"
                           xFract="0.49983294"
                           y3="4.22135"
                           yFract="0.50015995"
                           z3="6.36024"
                           zFract="0.28623942"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3358"
                           xFract="0.7506872"
                           y3="6.33438"
                           yFract="0.75051896"
                           z3="6.23923"
                           zFract="0.28079343"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.10787"
                           xFract="0.24974763"
                           y3="6.32449"
                           yFract="0.74934716"
                           z3="6.29938"
                           zFract="0.28350045"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02271"
                           xFract="0.00269076"
                           y3="2.12186"
                           yFract="0.25140521"
                           z3="4.22224"
                           zFract="0.1900198"/>
                     <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="0.01759"
                           xFract="0.00208412"
                           y3="2.10525"
                           yFract="0.2494372"
                           z3="8.40743"
                           zFract="0.37837219"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.22619"
                           xFract="0.50073341"
                           y3="-0.01124"
                           yFract="-0.00133175"
                           z3="6.36494"
                           zFract="0.28645095"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.09123"
                           xFract="0.24777607"
                           y3="0.03697"
                           yFract="0.00438033"
                           z3="8.41592"
                           zFract="0.37875428"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35118"
                           xFract="0.75250948"
                           y3="0.10828"
                           yFract="0.01282938"
                           z3="8.34463"
                           zFract="0.3755459"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09782"
                           xFract="0.24855687"
                           y3="2.08397"
                           yFract="0.24691588"
                           z3="6.30213"
                           zFract="0.28362421"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01721"
                           xFract="-0.0020391"
                           y3="4.22983"
                           yFract="0.50116469"
                           z3="6.3119"
                           zFract="0.28406391"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13778"
                           xFract="0.49025829"
                           y3="6.33397"
                           yFract="0.75047038"
                           z3="8.35507"
                           zFract="0.37601575"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10546"
                           xFract="0.24946209"
                           y3="4.17845"
                           yFract="0.49507701"
                           z3="8.38748"
                           zFract="0.37747435"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11119"
                           xFract="0.250141"
                           y3="4.24013"
                           yFract="0.50238507"
                           z3="4.22324"
                           zFract="0.19006481"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33171"
                           xFract="0.75020261"
                           y3="4.11472"
                           yFract="0.48752607"
                           z3="8.3495"
                           zFract="0.37576508"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19619"
                           xFract="0.49717891"
                           y3="2.10424"
                           yFract="0.24931754"
                           z3="8.3907"
                           zFract="0.37761926"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20302"
                           xFract="0.49798815"
                           y3="6.33643"
                           yFract="0.75076185"
                           z3="4.23771"
                           zFract="0.19071602"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00627"
                           xFract="-0.00074289"
                           y3="0.01397"
                           yFract="0.00165521"
                           z3="6.31142"
                           zFract="0.2840423"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34352"
                           xFract="0.7516019"
                           y3="0.02115"
                           yFract="0.00250592"
                           z3="4.24586"
                           zFract="0.19108281"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09785"
                           xFract="0.24856043"
                           y3="-0.01217"
                           yFract="-0.00144194"
                           z3="4.22195"
                           zFract="0.19000675"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01755"
                           xFract="0.00207938"
                           y3="6.34151"
                           yFract="0.75136374"
                           z3="4.20248"
                           zFract="0.18913051"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33532"
                           xFract="0.75063033"
                           y3="2.08155"
                           yFract="0.24662915"
                           z3="6.32185"
                           zFract="0.2845117"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15067"
                           xFract="0.0178519"
                           y3="6.34124"
                           yFract="0.75133175"
                           z3="8.36356"
                           zFract="0.37639784"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32627"
                           xFract="0.74955806"
                           y3="4.21551"
                           yFract="0.49946801"
                           z3="4.21887"
                           zFract="0.18986814"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22337"
                           xFract="0.50039929"
                           y3="2.09237"
                           yFract="0.24791114"
                           z3="4.23032"
                           zFract="0.19038344"/>
                     <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="0.08019"
                           xFract="0.00950118"
                           y3="2.14269"
                           yFract="0.25387322"
                           z3="6.31644"
                           zFract="0.28426823"/>
                     <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="2.20928"
                           xFract="0.26176303"
                           y3="-0.03373"
                           yFract="-0.00399645"
                           z3="6.36532"
                           zFract="0.28646805"/>
                     <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="0.0123"
                           xFract="0.00145735"
                           y3="0.10014"
                           yFract="0.01186493"
                           z3="4.20687"
                           zFract="0.18932808"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02643"
                           xFract="-0.00313152"
                           y3="-0.03574"
                           yFract="-0.0042346"
                           z3="8.55965"
                           zFract="0.38522277"/>
                     <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="1.9995"
                           xFract="0.23690758"
                           y3="2.17167"
                           yFract="0.25730687"
                           z3="4.19768"
                           zFract="0.18891449"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10358"
                           xFract="0.24923934"
                           y3="2.10532"
                           yFract="0.2494455"
                           z3="8.45284"
                           zFract="0.38041584"/>
                     <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="4.13047"
                           xFract="0.48939218"
                           y3="2.10467"
                           yFract="0.24936848"
                           z3="6.34344"
                           zFract="0.28548335"/>
                     <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="6.23039"
                           xFract="0.73819787"
                           y3="-0.13115"
                           yFract="-0.0155391"
                           z3="6.34084"
                           zFract="0.28536634"/>
                     <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="4.20962"
                           xFract="0.49877014"
                           y3="0.02057"
                           yFract="0.0024372"
                           z3="4.28978"
                           zFract="0.19305941"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23751"
                           xFract="0.50207464"
                           y3="0.00258"
                           yFract="0.00030569"
                           z3="8.5267"
                           zFract="0.38373987"/>
                     <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="6.45493"
                           xFract="0.76480213"
                           y3="2.1219"
                           yFract="0.25140995"
                           z3="4.24835"
                           zFract="0.19119487"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33193"
                           xFract="0.75022867"
                           y3="2.1088"
                           yFract="0.24985782"
                           z3="8.53544"
                           zFract="0.38413321"/>
                     <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="-0.04099"
                           xFract="-0.00485664"
                           y3="6.30595"
                           yFract="0.74715047"
                           z3="6.31448"
                           zFract="0.28418002"/>
                     <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="2.10714"
                           xFract="0.24966114"
                           y3="4.2366"
                           yFract="0.50196682"
                           z3="6.33764"
                           zFract="0.28522232"/>
                     <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="0.03399"
                           xFract="0.00402725"
                           y3="4.12922"
                           yFract="0.48924408"
                           z3="4.25561"
                           zFract="0.1915216"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02489"
                           xFract="-0.00294905"
                           y3="4.25022"
                           yFract="0.50358057"
                           z3="8.46347"
                           zFract="0.38089424"/>
                     <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="2.08509"
                           xFract="0.24704858"
                           y3="6.28496"
                           yFract="0.74466351"
                           z3="4.28317"
                           zFract="0.19276193"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14372"
                           xFract="0.25399526"
                           y3="6.32908"
                           yFract="0.749891"
                           z3="8.52248"
                           zFract="0.38354995"/>
                     <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="4.25048"
                           xFract="0.50361137"
                           y3="6.32874"
                           yFract="0.74985071"
                           z3="6.35147"
                           zFract="0.28584473"/>
                     <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="6.31997"
                           xFract="0.74881161"
                           y3="4.34783"
                           yFract="0.51514573"
                           z3="6.33793"
                           zFract="0.28523537"/>
                     <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="4.18591"
                           xFract="0.4959609"
                           y3="4.18372"
                           yFract="0.49570142"
                           z3="4.28411"
                           zFract="0.19280423"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23244"
                           xFract="0.50147393"
                           y3="4.21605"
                           yFract="0.49953199"
                           z3="8.5275"
                           zFract="0.38377588"/>
                     <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="6.35276"
                           xFract="0.75269668"
                           y3="6.32629"
                           yFract="0.74956043"
                           z3="4.22452"
                           zFract="0.19012241"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.23649"
                           xFract="0.73892062"
                           y3="6.32594"
                           yFract="0.74951896"
                           z3="8.69046"
                           zFract="0.39110981"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a31" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.36503"
                           xFract="0.75415047"
                           y3="6.33821"
                           yFract="0.75097275"
                           z3="9.71762"
                           zFract="0.43733663"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21862"
                           xFract="0.49983649"
                           y3="4.2154"
                           yFract="0.49945498"
                           z3="6.36933"
                           zFract="0.28664851"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33494"
                           xFract="0.75058531"
                           y3="6.33321"
                           yFract="0.75038033"
                           z3="6.23727"
                           zFract="0.28070522"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11074"
                           xFract="0.25008768"
                           y3="6.32792"
                           yFract="0.74975355"
                           z3="6.31646"
                           zFract="0.28426913"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02366"
                           xFract="0.00280332"
                           y3="2.12325"
                           yFract="0.25156991"
                           z3="4.21921"
                           zFract="0.18988344"/>
                     <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="0.0107"
                           xFract="0.00126777"
                           y3="2.10426"
                           yFract="0.24931991"
                           z3="8.40731"
                           zFract="0.37836679"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21738"
                           xFract="0.49968957"
                           y3="-0.01046"
                           yFract="-0.00123934"
                           z3="6.38061"
                           zFract="0.28715617"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08899"
                           xFract="0.24751066"
                           y3="0.02781"
                           yFract="0.00329502"
                           z3="8.42678"
                           zFract="0.37924302"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35342"
                           xFract="0.75277488"
                           y3="0.1021"
                           yFract="0.01209716"
                           z3="8.35231"
                           zFract="0.37589154"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09944"
                           xFract="0.24874882"
                           y3="2.07785"
                           yFract="0.24619076"
                           z3="6.2891"
                           zFract="0.2830378"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0206"
                           xFract="-0.00244076"
                           y3="4.2297"
                           yFract="0.50114929"
                           z3="6.31697"
                           zFract="0.28429208"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13565"
                           xFract="0.49000592"
                           y3="6.3342"
                           yFract="0.75049763"
                           z3="8.36526"
                           zFract="0.37647435"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10531"
                           xFract="0.24944431"
                           y3="4.18547"
                           yFract="0.49590877"
                           z3="8.39549"
                           zFract="0.37783483"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11542"
                           xFract="0.25064218"
                           y3="4.23911"
                           yFract="0.50226422"
                           z3="4.22248"
                           zFract="0.1900306"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32897"
                           xFract="0.74987796"
                           y3="4.11749"
                           yFract="0.48785427"
                           z3="8.35219"
                           zFract="0.37588614"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20151"
                           xFract="0.49780924"
                           y3="2.10343"
                           yFract="0.24922156"
                           z3="8.39769"
                           zFract="0.37793384"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20402"
                           xFract="0.49810664"
                           y3="6.33493"
                           yFract="0.75058412"
                           z3="4.23879"
                           zFract="0.19076463"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00523"
                           xFract="-0.00061967"
                           y3="0.0172"
                           yFract="0.00203791"
                           z3="6.31366"
                           zFract="0.28414311"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34597"
                           xFract="0.75189218"
                           y3="0.02607"
                           yFract="0.00308886"
                           z3="4.24863"
                           zFract="0.19120747"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.0979"
                           xFract="0.24856635"
                           y3="-0.01158"
                           yFract="-0.00137204"
                           z3="4.22293"
                           zFract="0.19005086"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01619"
                           xFract="0.00191825"
                           y3="6.3434"
                           yFract="0.75158768"
                           z3="4.19613"
                           zFract="0.18884473"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33342"
                           xFract="0.75040521"
                           y3="2.07356"
                           yFract="0.24568246"
                           z3="6.32303"
                           zFract="0.28456481"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15552"
                           xFract="0.01842654"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="8.36262"
                           zFract="0.37635554"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32045"
                           xFract="0.74886848"
                           y3="4.21835"
                           yFract="0.4998045"
                           z3="4.21757"
                           zFract="0.18980963"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22011"
                           xFract="0.50001303"
                           y3="2.09015"
                           yFract="0.2476481"
                           z3="4.23383"
                           zFract="0.1905414"/>
                     <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="0.08424"
                           xFract="0.00998104"
                           y3="2.14164"
                           yFract="0.25374882"
                           z3="6.32386"
                           zFract="0.28460216"/>
                     <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="2.22657"
                           xFract="0.26381161"
                           y3="-0.03953"
                           yFract="-0.00468365"
                           z3="6.37082"
                           zFract="0.28671557"/>
                     <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="0.02029"
                           xFract="0.00240403"
                           y3="0.12644"
                           yFract="0.01498104"
                           z3="4.2057"
                           zFract="0.18927543"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02661"
                           xFract="-0.00315284"
                           y3="-0.03642"
                           yFract="-0.00431517"
                           z3="8.56655"
                           zFract="0.3855333"/>
                     <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="1.98936"
                           xFract="0.23570616"
                           y3="2.17978"
                           yFract="0.25826777"
                           z3="4.19155"
                           zFract="0.18863861"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09997"
                           xFract="0.24881161"
                           y3="2.10592"
                           yFract="0.24951659"
                           z3="8.44807"
                           zFract="0.38020117"/>
                     <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="4.12249"
                           xFract="0.48844668"
                           y3="2.10531"
                           yFract="0.24944431"
                           z3="6.34232"
                           zFract="0.28543294"/>
                     <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="6.21401"
                           xFract="0.73625711"
                           y3="-0.1482"
                           yFract="-0.01755924"
                           z3="6.34635"
                           zFract="0.28561431"/>
                     <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="4.20453"
                           xFract="0.49816706"
                           y3="0.02889"
                           yFract="0.00342299"
                           z3="4.29917"
                           zFract="0.193482"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23188"
                           xFract="0.50140758"
                           y3="0.01234"
                           yFract="0.00146209"
                           z3="8.52697"
                           zFract="0.38375203"/>
                     <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="6.47882"
                           xFract="0.7676327"
                           y3="2.12614"
                           yFract="0.25191232"
                           z3="4.26034"
                           zFract="0.19173447"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33561"
                           xFract="0.75066469"
                           y3="2.11297"
                           yFract="0.2503519"
                           z3="8.52394"
                           zFract="0.38361566"/>
                     <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="-0.04537"
                           xFract="-0.00537559"
                           y3="6.31316"
                           yFract="0.74800474"
                           z3="6.29744"
                           zFract="0.28341314"/>
                     <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="2.10463"
                           xFract="0.24936374"
                           y3="4.23511"
                           yFract="0.50179028"
                           z3="6.33943"
                           zFract="0.28530288"/>
                     <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="0.03679"
                           xFract="0.004359"
                           y3="4.11465"
                           yFract="0.48751777"
                           z3="4.25583"
                           zFract="0.1915315"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02466"
                           xFract="-0.0029218"
                           y3="4.24857"
                           yFract="0.50338507"
                           z3="8.45154"
                           zFract="0.38035734"/>
                     <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="2.07647"
                           xFract="0.24602725"
                           y3="6.27786"
                           yFract="0.74382227"
                           z3="4.28637"
                           zFract="0.19290594"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16025"
                           xFract="0.25595379"
                           y3="6.32771"
                           yFract="0.74972867"
                           z3="8.5266"
                           zFract="0.38373537"/>
                     <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="4.25343"
                           xFract="0.5039609"
                           y3="6.32567"
                           yFract="0.74948697"
                           z3="6.35161"
                           zFract="0.28585104"/>
                     <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="6.31862"
                           xFract="0.74865166"
                           y3="4.35966"
                           yFract="0.51654739"
                           z3="6.34314"
                           zFract="0.28546985"/>
                     <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="4.18437"
                           xFract="0.49577844"
                           y3="4.17098"
                           yFract="0.49419194"
                           z3="4.29169"
                           zFract="0.19314536"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22434"
                           xFract="0.50051422"
                           y3="4.20421"
                           yFract="0.49812915"
                           z3="8.52501"
                           zFract="0.38366382"/>
                     <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="6.36134"
                           xFract="0.75371327"
                           y3="6.32753"
                           yFract="0.74970735"
                           z3="4.21633"
                           zFract="0.18975383"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.22314"
                           xFract="0.73733886"
                           y3="6.32478"
                           yFract="0.74938152"
                           z3="8.74842"
                           zFract="0.39371827"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38315"
                           xFract="0.75629739"
                           y3="6.3423"
                           yFract="0.75145735"
                           z3="9.83325"
                           zFract="0.4425405"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21867"
                           xFract="0.49984242"
                           y3="4.20349"
                           yFract="0.49804384"
                           z3="6.38751"
                           zFract="0.2874667"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33321"
                           xFract="0.75038033"
                           y3="6.33085"
                           yFract="0.75010071"
                           z3="6.23333"
                           zFract="0.2805279"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11649"
                           xFract="0.25076896"
                           y3="6.33479"
                           yFract="0.75056754"
                           z3="6.35063"
                           zFract="0.28580693"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02556"
                           xFract="0.00302844"
                           y3="2.12603"
                           yFract="0.25189929"
                           z3="4.21315"
                           zFract="0.18961071"/>
                     <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="-0.00307"
                           xFract="-0.00036374"
                           y3="2.10229"
                           yFract="0.24908649"
                           z3="8.40707"
                           zFract="0.37835599"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.19974"
                           xFract="0.49759953"
                           y3="-0.00889"
                           yFract="-0.00105332"
                           z3="6.41197"
                           zFract="0.28856751"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08449"
                           xFract="0.24697749"
                           y3="0.00949"
                           yFract="0.00112441"
                           z3="8.44851"
                           zFract="0.38022097"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3579"
                           xFract="0.75330569"
                           y3="0.08975"
                           yFract="0.01063389"
                           z3="8.36766"
                           zFract="0.37658236"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.1027"
                           xFract="0.24913507"
                           y3="2.06561"
                           yFract="0.24474052"
                           z3="6.26305"
                           zFract="0.28186544"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02737"
                           xFract="-0.00324289"
                           y3="4.22946"
                           yFract="0.50112085"
                           z3="6.32711"
                           zFract="0.28474842"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.13139"
                           xFract="0.48950118"
                           y3="6.33465"
                           yFract="0.75055095"
                           z3="8.38563"
                           zFract="0.37739109"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10501"
                           xFract="0.24940877"
                           y3="4.19951"
                           yFract="0.49757227"
                           z3="8.41151"
                           zFract="0.37855581"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12389"
                           xFract="0.25164573"
                           y3="4.23708"
                           yFract="0.5020237"
                           z3="4.22096"
                           zFract="0.1899622"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32351"
                           xFract="0.74923104"
                           y3="4.12303"
                           yFract="0.48851066"
                           z3="8.35758"
                           zFract="0.37612871"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.21215"
                           xFract="0.49906991"
                           y3="2.1018"
                           yFract="0.24902844"
                           z3="8.41166"
                           zFract="0.37856256"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20602"
                           xFract="0.4983436"
                           y3="6.33192"
                           yFract="0.75022749"
                           z3="4.24096"
                           zFract="0.19086229"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00316"
                           xFract="-0.00037441"
                           y3="0.02368"
                           yFract="0.00280569"
                           z3="6.31814"
                           zFract="0.28434473"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35088"
                           xFract="0.75247393"
                           y3="0.0359"
                           yFract="0.00425355"
                           z3="4.25417"
                           zFract="0.1914568"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09802"
                           xFract="0.24858057"
                           y3="-0.0104"
                           yFract="-0.00123223"
                           z3="4.2249"
                           zFract="0.19013951"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01348"
                           xFract="0.00159716"
                           y3="6.34719"
                           yFract="0.75203673"
                           z3="4.18342"
                           zFract="0.18827273"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32963"
                           xFract="0.74995616"
                           y3="2.05758"
                           yFract="0.2437891"
                           z3="6.3254"
                           zFract="0.28467147"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.16523"
                           xFract="0.01957701"
                           y3="6.34979"
                           yFract="0.75234479"
                           z3="8.36076"
                           zFract="0.37627183"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3088"
                           xFract="0.74748815"
                           y3="4.22403"
                           yFract="0.50047749"
                           z3="4.21497"
                           zFract="0.18969262"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21358"
                           xFract="0.49923934"
                           y3="2.08571"
                           yFract="0.24712204"
                           z3="4.24086"
                           zFract="0.19085779"/>
                     <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="0.09232"
                           xFract="0.01093839"
                           y3="2.13954"
                           yFract="0.2535"
                           z3="6.3387"
                           zFract="0.28527003"/>
                     <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="2.26114"
                           xFract="0.26790758"
                           y3="-0.05114"
                           yFract="-0.00605924"
                           z3="6.3818"
                           zFract="0.28720972"/>
                     <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="0.03627"
                           xFract="0.00429739"
                           y3="0.17903"
                           yFract="0.02121209"
                           z3="4.20338"
                           zFract="0.18917102"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02696"
                           xFract="-0.00319431"
                           y3="-0.03778"
                           yFract="-0.0044763"
                           z3="8.58034"
                           zFract="0.38615392"/>
                     <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="1.96907"
                           xFract="0.23330213"
                           y3="2.19601"
                           yFract="0.26019076"
                           z3="4.17928"
                           zFract="0.18808641"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09275"
                           xFract="0.24795616"
                           y3="2.10711"
                           yFract="0.24965758"
                           z3="8.43852"
                           zFract="0.37977138"/>
                     <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="4.10651"
                           xFract="0.48655332"
                           y3="2.10658"
                           yFract="0.24959479"
                           z3="6.34008"
                           zFract="0.28533213"/>
                     <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="6.18126"
                           xFract="0.73237678"
                           y3="-0.1823"
                           yFract="-0.02159953"
                           z3="6.35739"
                           zFract="0.28611116"/>
                     <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="4.19435"
                           xFract="0.4969609"
                           y3="0.04554"
                           yFract="0.00539573"
                           z3="4.31796"
                           zFract="0.19432763"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2206"
                           xFract="0.50007109"
                           y3="0.03186"
                           yFract="0.00377488"
                           z3="8.5275"
                           zFract="0.38377588"/>
                     <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="6.52659"
                           xFract="0.77329265"
                           y3="2.13461"
                           yFract="0.25291588"
                           z3="4.28432"
                           zFract="0.19281368"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34296"
                           xFract="0.75153555"
                           y3="2.12133"
                           yFract="0.25134242"
                           z3="8.50094"
                           zFract="0.38258056"/>
                     <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="-0.05413"
                           xFract="-0.00641351"
                           y3="6.32756"
                           yFract="0.7497109"
                           z3="6.26336"
                           zFract="0.28187939"/>
                     <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="2.09962"
                           xFract="0.24877014"
                           y3="4.23214"
                           yFract="0.50143839"
                           z3="6.34303"
                           zFract="0.2854649"/>
                     <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="0.04239"
                           xFract="0.00502251"
                           y3="4.08551"
                           yFract="0.48406517"
                           z3="4.25627"
                           zFract="0.19155131"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02419"
                           xFract="-0.00286611"
                           y3="4.24525"
                           yFract="0.50299171"
                           z3="8.42768"
                           zFract="0.37928353"/>
                     <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="2.05925"
                           xFract="0.24398697"
                           y3="6.26365"
                           yFract="0.74213863"
                           z3="4.29276"
                           zFract="0.19319352"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.19331"
                           xFract="0.25987085"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="8.53483"
                           zFract="0.38410576"/>
                     <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="4.25932"
                           xFract="0.50465877"
                           y3="6.31954"
                           yFract="0.74876066"
                           z3="6.35191"
                           zFract="0.28586454"/>
                     <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="6.31592"
                           xFract="0.74833175"
                           y3="4.38333"
                           yFract="0.5193519"
                           z3="6.35355"
                           zFract="0.28593834"/>
                     <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="4.1813"
                           xFract="0.49541469"
                           y3="4.14551"
                           yFract="0.49117417"
                           z3="4.30685"
                           zFract="0.19382763"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20816"
                           xFract="0.49859716"
                           y3="4.18053"
                           yFract="0.49532346"
                           z3="8.52003"
                           zFract="0.38343969"/>
                     <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="6.37849"
                           xFract="0.75574526"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.19995"
                           zFract="0.18901665"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19643"
                           xFract="0.73417417"
                           y3="6.32246"
                           yFract="0.74910664"
                           z3="8.86433"
                           zFract="0.39893474"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37332"
                           xFract="0.7551327"
                           y3="6.34008"
                           yFract="0.75119431"
                           z3="9.77051"
                           zFract="0.43971692"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21864"
                           xFract="0.49983886"
                           y3="4.20995"
                           yFract="0.49880924"
                           z3="6.37764"
                           zFract="0.2870225"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33415"
                           xFract="0.75049171"
                           y3="6.33213"
                           yFract="0.75025237"
                           z3="6.23547"
                           zFract="0.28062421"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11337"
                           xFract="0.25039929"
                           y3="6.33107"
                           yFract="0.75012678"
                           z3="6.33209"
                           zFract="0.28497255"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02453"
                           xFract="0.0029064"
                           y3="2.12452"
                           yFract="0.25172038"
                           z3="4.21644"
                           zFract="0.18975878"/>
                     <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="0.0044"
                           xFract="0.00052133"
                           y3="2.10336"
                           yFract="0.24921327"
                           z3="8.4072"
                           zFract="0.37836184"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20931"
                           xFract="0.49873341"
                           y3="-0.00974"
                           yFract="-0.00115403"
                           z3="6.39496"
                           zFract="0.28780198"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08693"
                           xFract="0.24726659"
                           y3="0.01943"
                           yFract="0.00230213"
                           z3="8.43672"
                           zFract="0.37969037"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35547"
                           xFract="0.75301777"
                           y3="0.09645"
                           yFract="0.01142773"
                           z3="8.35933"
                           zFract="0.37620747"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10094"
                           xFract="0.24892654"
                           y3="2.07225"
                           yFract="0.24552725"
                           z3="6.27718"
                           zFract="0.28250135"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02369"
                           xFract="-0.00280687"
                           y3="4.22959"
                           yFract="0.50113626"
                           z3="6.32161"
                           zFract="0.2845009"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1337"
                           xFract="0.48977488"
                           y3="6.3344"
                           yFract="0.75052133"
                           z3="8.37458"
                           zFract="0.37689379"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10517"
                           xFract="0.24942773"
                           y3="4.19189"
                           yFract="0.49666943"
                           z3="8.40282"
                           zFract="0.37816472"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11929"
                           xFract="0.25110071"
                           y3="4.23818"
                           yFract="0.50215403"
                           z3="4.22178"
                           zFract="0.1899991"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32647"
                           xFract="0.74958175"
                           y3="4.12002"
                           yFract="0.48815403"
                           z3="8.35466"
                           zFract="0.3759973"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20638"
                           xFract="0.49838626"
                           y3="2.10268"
                           yFract="0.2491327"
                           z3="8.40408"
                           zFract="0.37822142"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20494"
                           xFract="0.49821564"
                           y3="6.33355"
                           yFract="0.75042062"
                           z3="4.23978"
                           zFract="0.19080918"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00428"
                           xFract="-0.00050711"
                           y3="0.02017"
                           yFract="0.00238981"
                           z3="6.31571"
                           zFract="0.28423537"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34822"
                           xFract="0.75215877"
                           y3="0.03056"
                           yFract="0.00362085"
                           z3="4.25117"
                           zFract="0.19132178"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.09796"
                           xFract="0.24857346"
                           y3="-0.01104"
                           yFract="-0.00130806"
                           z3="4.22383"
                           zFract="0.19009136"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01495"
                           xFract="0.00177133"
                           y3="6.34513"
                           yFract="0.75179265"
                           z3="4.19031"
                           zFract="0.18858281"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.33168"
                           xFract="0.75019905"
                           y3="2.06625"
                           yFract="0.24481635"
                           z3="6.32411"
                           zFract="0.28461341"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15996"
                           xFract="0.01895261"
                           y3="6.34669"
                           yFract="0.75197749"
                           z3="8.36177"
                           zFract="0.37631728"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31512"
                           xFract="0.74823697"
                           y3="4.22095"
                           yFract="0.50011256"
                           z3="4.21638"
                           zFract="0.18975608"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21712"
                           xFract="0.49965877"
                           y3="2.08812"
                           yFract="0.24740758"
                           z3="4.23704"
                           zFract="0.19068587"/>
                     <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="0.08794"
                           xFract="0.01041943"
                           y3="2.14068"
                           yFract="0.25363507"
                           z3="6.33065"
                           zFract="0.28490774"/>
                     <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="2.24238"
                           xFract="0.26568483"
                           y3="-0.04484"
                           yFract="-0.0053128"
                           z3="6.37584"
                           zFract="0.28694149"/>
                     <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="0.0276"
                           xFract="0.00327014"
                           y3="0.1505"
                           yFract="0.01783175"
                           z3="4.20464"
                           zFract="0.18922772"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02677"
                           xFract="-0.0031718"
                           y3="-0.03704"
                           yFract="-0.00438863"
                           z3="8.57286"
                           zFract="0.38581728"/>
                     <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="1.98008"
                           xFract="0.23460664"
                           y3="2.1872"
                           yFract="0.25914692"
                           z3="4.18594"
                           zFract="0.18838614"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09667"
                           xFract="0.24842062"
                           y3="2.10646"
                           yFract="0.24958057"
                           z3="8.4437"
                           zFract="0.3800045"/>
                     <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="4.11518"
                           xFract="0.48758057"
                           y3="2.10589"
                           yFract="0.24951303"
                           z3="6.34129"
                           zFract="0.28538659"/>
                     <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="6.19903"
                           xFract="0.73448223"
                           y3="-0.1638"
                           yFract="-0.01940758"
                           z3="6.3514"
                           zFract="0.28584158"/>
                     <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="4.19987"
                           xFract="0.49761493"
                           y3="0.03651"
                           yFract="0.00432583"
                           z3="4.30776"
                           zFract="0.19386859"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22672"
                           xFract="0.50079621"
                           y3="0.02127"
                           yFract="0.00252014"
                           z3="8.52721"
                           zFract="0.38376283"/>
                     <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="6.50067"
                           xFract="0.77022156"
                           y3="2.13001"
                           yFract="0.25237085"
                           z3="4.27131"
                           zFract="0.19222817"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33897"
                           xFract="0.7510628"
                           y3="2.1168"
                           yFract="0.25080569"
                           z3="8.51342"
                           zFract="0.38314221"/>
                     <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="-0.04938"
                           xFract="-0.00585071"
                           y3="6.31975"
                           yFract="0.74878555"
                           z3="6.28185"
                           zFract="0.28271152"/>
                     <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="2.10234"
                           xFract="0.24909242"
                           y3="4.23376"
                           yFract="0.50163033"
                           z3="6.34108"
                           zFract="0.28537714"/>
                     <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="0.03935"
                           xFract="0.00466232"
                           y3="4.10131"
                           yFract="0.4859372"
                           z3="4.25603"
                           zFract="0.1915405"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02444"
                           xFract="-0.00289573"
                           y3="4.24705"
                           yFract="0.50320498"
                           z3="8.44062"
                           zFract="0.37986589"/>
                     <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="2.06859"
                           xFract="0.2450936"
                           y3="6.27136"
                           yFract="0.74305213"
                           z3="4.28929"
                           zFract="0.19303735"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17537"
                           xFract="0.25774526"
                           y3="6.32646"
                           yFract="0.74958057"
                           z3="8.53036"
                           zFract="0.38390459"/>
                     <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="4.25612"
                           xFract="0.50427962"
                           y3="6.32287"
                           yFract="0.74915521"
                           z3="6.35175"
                           zFract="0.28585734"/>
                     <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="6.31738"
                           xFract="0.74850474"
                           y3="4.37049"
                           yFract="0.51783057"
                           z3="6.3479"
                           zFract="0.28568407"/>
                     <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="4.18297"
                           xFract="0.49561256"
                           y3="4.15933"
                           yFract="0.49281161"
                           z3="4.29862"
                           zFract="0.19345725"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21694"
                           xFract="0.49963744"
                           y3="4.19337"
                           yFract="0.49684479"
                           z3="8.52274"
                           zFract="0.38356166"/>
                     <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="6.36918"
                           xFract="0.75464218"
                           y3="6.32866"
                           yFract="0.74984123"
                           z3="4.20884"
                           zFract="0.18941674"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.21092"
                           xFract="0.735891"
                           y3="6.32372"
                           yFract="0.74925592"
                           z3="8.80144"
                           zFract="0.39610441"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37566"
                           xFract="0.75540995"
                           y3="6.34057"
                           yFract="0.75125237"
                           z3="9.79189"
                           zFract="0.44067912"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21557"
                           xFract="0.49947512"
                           y3="4.20587"
                           yFract="0.49832583"
                           z3="6.37764"
                           zFract="0.2870225"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33004"
                           xFract="0.75000474"
                           y3="6.3332"
                           yFract="0.75037915"
                           z3="6.23166"
                           zFract="0.28045275"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11598"
                           xFract="0.25070853"
                           y3="6.33038"
                           yFract="0.75004502"
                           z3="6.33484"
                           zFract="0.28509631"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02552"
                           xFract="0.0030237"
                           y3="2.12911"
                           yFract="0.25226422"
                           z3="4.21761"
                           zFract="0.18981143"/>
                     <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="0.00315"
                           xFract="0.00037322"
                           y3="2.10315"
                           yFract="0.24918839"
                           z3="8.40691"
                           zFract="0.37834878"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21023"
                           xFract="0.49884242"
                           y3="-0.00971"
                           yFract="-0.00115047"
                           z3="6.39507"
                           zFract="0.28780693"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08566"
                           xFract="0.24711611"
                           y3="0.01973"
                           yFract="0.00233768"
                           z3="8.43946"
                           zFract="0.37981368"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35571"
                           xFract="0.75304621"
                           y3="0.09341"
                           yFract="0.01106754"
                           z3="8.3651"
                           zFract="0.37646715"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10032"
                           xFract="0.24885308"
                           y3="2.07111"
                           yFract="0.24539218"
                           z3="6.27883"
                           zFract="0.28257561"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02263"
                           xFract="-0.00268128"
                           y3="4.22768"
                           yFract="0.50090995"
                           z3="6.32006"
                           zFract="0.28443114"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1416"
                           xFract="0.4907109"
                           y3="6.33273"
                           yFract="0.75032346"
                           z3="8.38009"
                           zFract="0.37714176"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10413"
                           xFract="0.2493045"
                           y3="4.19134"
                           yFract="0.49660427"
                           z3="8.40339"
                           zFract="0.37819037"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12122"
                           xFract="0.25132938"
                           y3="4.24051"
                           yFract="0.50243009"
                           z3="4.22288"
                           zFract="0.1900486"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32498"
                           xFract="0.74940521"
                           y3="4.1238"
                           yFract="0.4886019"
                           z3="8.35901"
                           zFract="0.37619307"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20666"
                           xFract="0.49841943"
                           y3="2.10359"
                           yFract="0.24924052"
                           z3="8.40362"
                           zFract="0.37820072"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20539"
                           xFract="0.49826896"
                           y3="6.33389"
                           yFract="0.7504609"
                           z3="4.23956"
                           zFract="0.19079928"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00318"
                           xFract="-0.00037678"
                           y3="0.02269"
                           yFract="0.00268839"
                           z3="6.31578"
                           zFract="0.28423852"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34749"
                           xFract="0.75207227"
                           y3="0.03032"
                           yFract="0.00359242"
                           z3="4.25281"
                           zFract="0.19139559"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10054"
                           xFract="0.24887915"
                           y3="-0.01388"
                           yFract="-0.00164455"
                           z3="4.22462"
                           zFract="0.19012691"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01398"
                           xFract="0.0016564"
                           y3="6.34573"
                           yFract="0.75186374"
                           z3="4.18642"
                           zFract="0.18840774"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32919"
                           xFract="0.74990403"
                           y3="2.06226"
                           yFract="0.2443436"
                           z3="6.32728"
                           zFract="0.28475608"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15948"
                           xFract="0.01889573"
                           y3="6.34693"
                           yFract="0.75200592"
                           z3="8.36077"
                           zFract="0.37627228"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31093"
                           xFract="0.74774052"
                           y3="4.22445"
                           yFract="0.50052725"
                           z3="4.2165"
                           zFract="0.18976148"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21648"
                           xFract="0.49958294"
                           y3="2.0863"
                           yFract="0.24719194"
                           z3="4.2367"
                           zFract="0.19067057"/>
                     <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="0.08462"
                           xFract="0.01002607"
                           y3="2.13617"
                           yFract="0.25310071"
                           z3="6.33368"
                           zFract="0.2850441"/>
                     <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="2.24404"
                           xFract="0.26588152"
                           y3="-0.04643"
                           yFract="-0.00550118"
                           z3="6.3829"
                           zFract="0.28725923"/>
                     <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="0.0333"
                           xFract="0.0039455"
                           y3="0.16534"
                           yFract="0.01959005"
                           z3="4.20489"
                           zFract="0.18923897"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02622"
                           xFract="-0.00310664"
                           y3="-0.0436"
                           yFract="-0.00516588"
                           z3="8.57365"
                           zFract="0.38585284"/>
                     <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="1.97669"
                           xFract="0.23420498"
                           y3="2.18807"
                           yFract="0.25925"
                           z3="4.18394"
                           zFract="0.18829613"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0937"
                           xFract="0.24806872"
                           y3="2.10464"
                           yFract="0.24936493"
                           z3="8.44504"
                           zFract="0.38006481"/>
                     <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="4.11947"
                           xFract="0.48808886"
                           y3="2.10488"
                           yFract="0.24939336"
                           z3="6.34378"
                           zFract="0.28549865"/>
                     <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="6.1906"
                           xFract="0.73348341"
                           y3="-0.16625"
                           yFract="-0.01969787"
                           z3="6.36471"
                           zFract="0.28644059"/>
                     <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="4.19615"
                           xFract="0.49717417"
                           y3="0.04239"
                           yFract="0.00502251"
                           z3="4.31145"
                           zFract="0.19403465"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22606"
                           xFract="0.50071801"
                           y3="0.02044"
                           yFract="0.0024218"
                           z3="8.52896"
                           zFract="0.38384158"/>
                     <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="6.5104"
                           xFract="0.77137441"
                           y3="2.1315"
                           yFract="0.25254739"
                           z3="4.27518"
                           zFract="0.19240234"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33932"
                           xFract="0.75110427"
                           y3="2.11424"
                           yFract="0.25050237"
                           z3="8.50278"
                           zFract="0.38266337"/>
                     <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="-0.04854"
                           xFract="-0.00575118"
                           y3="6.32642"
                           yFract="0.74957583"
                           z3="6.27764"
                           zFract="0.28252205"/>
                     <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="2.10069"
                           xFract="0.24889692"
                           y3="4.23371"
                           yFract="0.50162441"
                           z3="6.3442"
                           zFract="0.28551755"/>
                     <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="0.03784"
                           xFract="0.00448341"
                           y3="4.09247"
                           yFract="0.48488981"
                           z3="4.25706"
                           zFract="0.19158686"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02481"
                           xFract="-0.00293957"
                           y3="4.2546"
                           yFract="0.50409953"
                           z3="8.43597"
                           zFract="0.37965662"/>
                     <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="2.06334"
                           xFract="0.24447156"
                           y3="6.26993"
                           yFract="0.7428827"
                           z3="4.29103"
                           zFract="0.19311566"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17153"
                           xFract="0.25729028"
                           y3="6.32627"
                           yFract="0.74955806"
                           z3="8.53442"
                           zFract="0.38408731"/>
                     <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="4.25802"
                           xFract="0.50450474"
                           y3="6.31993"
                           yFract="0.74880687"
                           z3="6.36034"
                           zFract="0.28624392"/>
                     <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="6.31807"
                           xFract="0.74858649"
                           y3="4.3708"
                           yFract="0.5178673"
                           z3="6.35686"
                           zFract="0.28608731"/>
                     <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="4.1853"
                           xFract="0.49588863"
                           y3="4.15068"
                           yFract="0.49178673"
                           z3="4.29986"
                           zFract="0.19351305"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="4.19277"
                           yFract="0.4967737"
                           z3="8.5218"
                           zFract="0.38351935"/>
                     <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="6.37558"
                           xFract="0.75540047"
                           y3="6.33007"
                           yFract="0.75000829"
                           z3="4.20473"
                           zFract="0.18923177"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20762"
                           xFract="0.7355"
                           y3="6.32341"
                           yFract="0.74921919"
                           z3="8.8472"
                           zFract="0.39816382"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37679"
                           xFract="0.75554384"
                           y3="6.3408"
                           yFract="0.75127962"
                           z3="9.80216"
                           zFract="0.44114131"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21409"
                           xFract="0.49929976"
                           y3="4.20391"
                           yFract="0.4980936"
                           z3="6.37763"
                           zFract="0.28702205"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32807"
                           xFract="0.74977133"
                           y3="6.33371"
                           yFract="0.75043957"
                           z3="6.22983"
                           zFract="0.28037039"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11723"
                           xFract="0.25085664"
                           y3="6.33005"
                           yFract="0.75000592"
                           z3="6.33615"
                           zFract="0.28515527"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02599"
                           xFract="0.00307938"
                           y3="2.13132"
                           yFract="0.25252607"
                           z3="4.21817"
                           zFract="0.18983663"/>
                     <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="0.00255"
                           xFract="0.00030213"
                           y3="2.10305"
                           yFract="0.24917654"
                           z3="8.40677"
                           zFract="0.37834248"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21067"
                           xFract="0.49889455"
                           y3="-0.0097"
                           yFract="-0.00114929"
                           z3="6.39512"
                           zFract="0.28780918"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08505"
                           xFract="0.24704384"
                           y3="0.01988"
                           yFract="0.00235545"
                           z3="8.44077"
                           zFract="0.37987264"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35582"
                           xFract="0.75305924"
                           y3="0.09195"
                           yFract="0.01089455"
                           z3="8.36787"
                           zFract="0.37659181"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.10002"
                           xFract="0.24881754"
                           y3="2.07057"
                           yFract="0.2453282"
                           z3="6.27963"
                           zFract="0.28261161"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02211"
                           xFract="-0.00261967"
                           y3="4.22676"
                           yFract="0.50080095"
                           z3="6.31932"
                           zFract="0.28439784"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14539"
                           xFract="0.49115995"
                           y3="6.33193"
                           yFract="0.75022867"
                           z3="8.38274"
                           zFract="0.37726103"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10362"
                           xFract="0.24924408"
                           y3="4.19107"
                           yFract="0.49657227"
                           z3="8.40367"
                           zFract="0.37820297"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12214"
                           xFract="0.25143839"
                           y3="4.24162"
                           yFract="0.50256161"
                           z3="4.22341"
                           zFract="0.19007246"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32426"
                           xFract="0.74931991"
                           y3="4.12561"
                           yFract="0.48881635"
                           z3="8.36109"
                           zFract="0.37628668"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20679"
                           xFract="0.49843483"
                           y3="2.10403"
                           yFract="0.24929265"
                           z3="8.4034"
                           zFract="0.37819082"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20561"
                           xFract="0.49829502"
                           y3="6.33405"
                           yFract="0.75047986"
                           z3="4.23945"
                           zFract="0.19079433"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00266"
                           xFract="-0.00031517"
                           y3="0.0239"
                           yFract="0.00283175"
                           z3="6.31582"
                           zFract="0.28424032"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34713"
                           xFract="0.75202962"
                           y3="0.0302"
                           yFract="0.0035782"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10179"
                           xFract="0.24902725"
                           y3="-0.01524"
                           yFract="-0.00180569"
                           z3="4.2250"
                           zFract="0.19014401"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01351"
                           xFract="0.00160071"
                           y3="6.34602"
                           yFract="0.7518981"
                           z3="4.18456"
                           zFract="0.18832403"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3280"
                           xFract="0.74976303"
                           y3="2.06034"
                           yFract="0.24411611"
                           z3="6.3288"
                           zFract="0.28482448"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15926"
                           xFract="0.01886967"
                           y3="6.34704"
                           yFract="0.75201896"
                           z3="8.36028"
                           zFract="0.37625023"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30892"
                           xFract="0.74750237"
                           y3="4.22613"
                           yFract="0.5007263"
                           z3="4.21655"
                           zFract="0.18976373"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21617"
                           xFract="0.49954621"
                           y3="2.08542"
                           yFract="0.24708768"
                           z3="4.23654"
                           zFract="0.19066337"/>
                     <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="0.08303"
                           xFract="0.00983768"
                           y3="2.1340"
                           yFract="0.2528436"
                           z3="6.33514"
                           zFract="0.28510981"/>
                     <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="2.24483"
                           xFract="0.26597512"
                           y3="-0.04719"
                           yFract="-0.00559123"
                           z3="6.38629"
                           zFract="0.28741179"/>
                     <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="0.03603"
                           xFract="0.00426896"
                           y3="0.17247"
                           yFract="0.02043483"
                           z3="4.2050"
                           zFract="0.18924392"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02596"
                           xFract="-0.00307583"
                           y3="-0.04675"
                           yFract="-0.0055391"
                           z3="8.57404"
                           zFract="0.38587039"/>
                     <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="1.97506"
                           xFract="0.23401185"
                           y3="2.18848"
                           yFract="0.25929858"
                           z3="4.18299"
                           zFract="0.18825338"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09227"
                           xFract="0.24789929"
                           y3="2.10377"
                           yFract="0.24926185"
                           z3="8.44568"
                           zFract="0.38009361"/>
                     <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="4.12153"
                           xFract="0.48833294"
                           y3="2.1044"
                           yFract="0.24933649"
                           z3="6.34498"
                           zFract="0.28555266"/>
                     <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="6.18656"
                           xFract="0.73300474"
                           y3="-0.16743"
                           yFract="-0.01983768"
                           z3="6.3711"
                           zFract="0.28672817"/>
                     <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="4.19436"
                           xFract="0.49696209"
                           y3="0.04521"
                           yFract="0.00535664"
                           z3="4.31321"
                           zFract="0.19411386"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22574"
                           xFract="0.50068009"
                           y3="0.02004"
                           yFract="0.00237441"
                           z3="8.52979"
                           zFract="0.38387894"/>
                     <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="6.51507"
                           xFract="0.77192773"
                           y3="2.13221"
                           yFract="0.25263152"
                           z3="4.27703"
                           zFract="0.1924856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33949"
                           xFract="0.75112441"
                           y3="2.11301"
                           yFract="0.25035664"
                           z3="8.49767"
                           zFract="0.38243339"/>
                     <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="-0.04814"
                           xFract="-0.00570379"
                           y3="6.32962"
                           yFract="0.74995498"
                           z3="6.27561"
                           zFract="0.28243069"/>
                     <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="2.0999"
                           xFract="0.24880332"
                           y3="4.23368"
                           yFract="0.50162085"
                           z3="6.3457"
                           zFract="0.28558506"/>
                     <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="0.03711"
                           xFract="0.00439692"
                           y3="4.08822"
                           yFract="0.48438626"
                           z3="4.25755"
                           zFract="0.19160891"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02498"
                           xFract="-0.00295972"
                           y3="4.25823"
                           yFract="0.50452962"
                           z3="8.43374"
                           zFract="0.37955626"/>
                     <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="2.06082"
                           xFract="0.24417299"
                           y3="6.26924"
                           yFract="0.74280095"
                           z3="4.29186"
                           zFract="0.19315302"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16968"
                           xFract="0.25707109"
                           y3="6.32618"
                           yFract="0.74954739"
                           z3="8.53637"
                           zFract="0.38417507"/>
                     <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="4.25893"
                           xFract="0.50461256"
                           y3="6.31851"
                           yFract="0.74863863"
                           z3="6.36447"
                           zFract="0.28642979"/>
                     <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="6.3184"
                           xFract="0.74862559"
                           y3="4.37095"
                           yFract="0.51788507"
                           z3="6.36116"
                           zFract="0.28628083"/>
                     <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="4.18641"
                           xFract="0.49602014"
                           y3="4.14652"
                           yFract="0.49129384"
                           z3="4.30046"
                           zFract="0.19354005"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21669"
                           xFract="0.49960782"
                           y3="4.19248"
                           yFract="0.49673934"
                           z3="8.52135"
                           zFract="0.3834991"/>
                     <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="6.37866"
                           xFract="0.7557654"
                           y3="6.33075"
                           yFract="0.75008886"
                           z3="4.20275"
                           zFract="0.18914266"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20603"
                           xFract="0.73531161"
                           y3="6.32327"
                           yFract="0.74920261"
                           z3="8.86918"
                           zFract="0.39915302"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37917"
                           xFract="0.75582583"
                           y3="6.34109"
                           yFract="0.75131398"
                           z3="9.82026"
                           zFract="0.4419559"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21254"
                           xFract="0.49911611"
                           y3="4.20217"
                           yFract="0.49788744"
                           z3="6.37707"
                           zFract="0.28699685"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3260"
                           xFract="0.74952607"
                           y3="6.33429"
                           yFract="0.75050829"
                           z3="6.22796"
                           zFract="0.28028623"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11836"
                           xFract="0.25099052"
                           y3="6.32941"
                           yFract="0.74993009"
                           z3="6.3366"
                           zFract="0.28517552"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02667"
                           xFract="0.00315995"
                           y3="2.1336"
                           yFract="0.25279621"
                           z3="4.21906"
                           zFract="0.18987669"/>
                     <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="0.00237"
                           xFract="0.00028081"
                           y3="2.1030"
                           yFract="0.24917062"
                           z3="8.40662"
                           zFract="0.37833573"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2115"
                           xFract="0.49899289"
                           y3="-0.00993"
                           yFract="-0.00117654"
                           z3="6.39439"
                           zFract="0.28777633"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08457"
                           xFract="0.24698697"
                           y3="0.02053"
                           yFract="0.00243246"
                           z3="8.4417"
                           zFract="0.37991449"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35578"
                           xFract="0.7530545"
                           y3="0.09038"
                           yFract="0.01070853"
                           z3="8.37116"
                           zFract="0.37673987"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09961"
                           xFract="0.24876896"
                           y3="2.07032"
                           yFract="0.24529858"
                           z3="6.28161"
                           zFract="0.28270072"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02149"
                           xFract="-0.00254621"
                           y3="4.22593"
                           yFract="0.50070261"
                           z3="6.31816"
                           zFract="0.28434563"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14956"
                           xFract="0.49165403"
                           y3="6.33099"
                           yFract="0.7501173"
                           z3="8.38568"
                           zFract="0.37739334"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10298"
                           xFract="0.24916825"
                           y3="4.19036"
                           yFract="0.49648815"
                           z3="8.40349"
                           zFract="0.37819487"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12285"
                           xFract="0.25152251"
                           y3="4.2429"
                           yFract="0.50271327"
                           z3="4.22408"
                           zFract="0.19010261"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32379"
                           xFract="0.74926422"
                           y3="4.12767"
                           yFract="0.48906043"
                           z3="8.36365"
                           zFract="0.37640189"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20646"
                           xFract="0.49839573"
                           y3="2.10447"
                           yFract="0.24934479"
                           z3="8.40263"
                           zFract="0.37815617"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20573"
                           xFract="0.49830924"
                           y3="6.33442"
                           yFract="0.7505237"
                           z3="4.2394"
                           zFract="0.19079208"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00214"
                           xFract="-0.00025355"
                           y3="0.02493"
                           yFract="0.00295379"
                           z3="6.31564"
                           zFract="0.28423222"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34672"
                           xFract="0.75198104"
                           y3="0.0298"
                           yFract="0.00353081"
                           z3="4.25451"
                           zFract="0.1914721"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10316"
                           xFract="0.24918957"
                           y3="-0.01691"
                           yFract="-0.00200355"
                           z3="4.22545"
                           zFract="0.19016427"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01315"
                           xFract="0.00155806"
                           y3="6.34629"
                           yFract="0.75193009"
                           z3="4.18293"
                           zFract="0.18825068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32671"
                           xFract="0.74961019"
                           y3="2.05878"
                           yFract="0.24393128"
                           z3="6.33045"
                           zFract="0.28489874"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15837"
                           xFract="0.01876422"
                           y3="6.34685"
                           yFract="0.75199645"
                           z3="8.35984"
                           zFract="0.37623042"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30703"
                           xFract="0.74727844"
                           y3="4.22778"
                           yFract="0.5009218"
                           z3="4.21695"
                           zFract="0.18978173"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21605"
                           xFract="0.49953199"
                           y3="2.08457"
                           yFract="0.24698697"
                           z3="4.23601"
                           zFract="0.19063951"/>
                     <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="0.08099"
                           xFract="0.00959597"
                           y3="2.13145"
                           yFract="0.25254147"
                           z3="6.33634"
                           zFract="0.28516382"/>
                     <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="2.2447"
                           xFract="0.26595972"
                           y3="-0.04752"
                           yFract="-0.00563033"
                           z3="6.3898"
                           zFract="0.28756976"/>
                     <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="0.03867"
                           xFract="0.00458175"
                           y3="0.17896"
                           yFract="0.02120379"
                           z3="4.20529"
                           zFract="0.18925698"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02578"
                           xFract="-0.0030545"
                           y3="-0.05025"
                           yFract="-0.00595379"
                           z3="8.57391"
                           zFract="0.38586454"/>
                     <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="1.97394"
                           xFract="0.23387915"
                           y3="2.18847"
                           yFract="0.25929739"
                           z3="4.18259"
                           zFract="0.18823537"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.09085"
                           xFract="0.24773104"
                           y3="2.10284"
                           yFract="0.24915166"
                           z3="8.44685"
                           zFract="0.38014626"/>
                     <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="4.12438"
                           xFract="0.48867062"
                           y3="2.10371"
                           yFract="0.24925474"
                           z3="6.3465"
                           zFract="0.28562106"/>
                     <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="6.18302"
                           xFract="0.73258531"
                           y3="-0.16767"
                           yFract="-0.01986611"
                           z3="6.37799"
                           zFract="0.28703825"/>
                     <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="4.19266"
                           xFract="0.49676066"
                           y3="0.04773"
                           yFract="0.00565521"
                           z3="4.31471"
                           zFract="0.19418137"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22582"
                           xFract="0.50068957"
                           y3="0.0189"
                           yFract="0.00223934"
                           z3="8.5307"
                           zFract="0.38391989"/>
                     <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="6.51856"
                           xFract="0.77234123"
                           y3="2.13269"
                           yFract="0.25268839"
                           z3="4.27843"
                           zFract="0.1925486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33949"
                           xFract="0.75112441"
                           y3="2.11145"
                           yFract="0.2501718"
                           z3="8.49258"
                           zFract="0.38220432"/>
                     <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="-0.0474"
                           xFract="-0.00561611"
                           y3="6.33296"
                           yFract="0.75035071"
                           z3="6.27429"
                           zFract="0.28237129"/>
                     <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="2.09919"
                           xFract="0.24871919"
                           y3="4.23356"
                           yFract="0.50160664"
                           z3="6.34713"
                           zFract="0.28564941"/>
                     <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="0.03604"
                           xFract="0.00427014"
                           y3="4.08449"
                           yFract="0.48394431"
                           z3="4.25818"
                           zFract="0.19163726"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02525"
                           xFract="-0.00299171"
                           y3="4.26248"
                           yFract="0.50503318"
                           z3="8.43206"
                           zFract="0.37948065"/>
                     <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="2.05847"
                           xFract="0.24389455"
                           y3="6.26898"
                           yFract="0.74277014"
                           z3="4.29268"
                           zFract="0.19318992"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16695"
                           xFract="0.25674763"
                           y3="6.32609"
                           yFract="0.74953673"
                           z3="8.53834"
                           zFract="0.38426373"/>
                     <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="4.25978"
                           xFract="0.50471327"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="6.36921"
                           zFract="0.28664311"/>
                     <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="6.31878"
                           xFract="0.74867062"
                           y3="4.37049"
                           yFract="0.51783057"
                           z3="6.36551"
                           zFract="0.2864766"/>
                     <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="4.1878"
                           xFract="0.49618483"
                           y3="4.14262"
                           yFract="0.49083175"
                           z3="4.30058"
                           zFract="0.19354545"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21719"
                           xFract="0.49966706"
                           y3="4.19293"
                           yFract="0.49679265"
                           z3="8.52106"
                           zFract="0.38348605"/>
                     <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="6.38174"
                           xFract="0.75613033"
                           y3="6.33149"
                           yFract="0.75017654"
                           z3="4.20108"
                           zFract="0.18906751"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20331"
                           xFract="0.73498934"
                           y3="6.32293"
                           yFract="0.74916232"
                           z3="8.88183"
                           zFract="0.39972232"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38631"
                           xFract="0.7566718"
                           y3="6.34196"
                           yFract="0.75141706"
                           z3="9.87457"
                           zFract="0.44440009"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20787"
                           xFract="0.4985628"
                           y3="4.19693"
                           yFract="0.49726659"
                           z3="6.37538"
                           zFract="0.28692079"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31981"
                           xFract="0.74879265"
                           y3="6.33603"
                           yFract="0.75071445"
                           z3="6.22235"
                           zFract="0.28003375"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12174"
                           xFract="0.251391"
                           y3="6.32749"
                           yFract="0.74970261"
                           z3="6.33794"
                           zFract="0.28523582"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02869"
                           xFract="0.00339929"
                           y3="2.14045"
                           yFract="0.25360782"
                           z3="4.22174"
                           zFract="0.1899973"/>
                     <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="0.00181"
                           xFract="0.00021445"
                           y3="2.10286"
                           yFract="0.24915403"
                           z3="8.40618"
                           zFract="0.37831593"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2140"
                           xFract="0.4992891"
                           y3="-0.01065"
                           yFract="-0.00126185"
                           z3="6.3922"
                           zFract="0.28767777"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08315"
                           xFract="0.24681872"
                           y3="0.02248"
                           yFract="0.00266351"
                           z3="8.44447"
                           zFract="0.38003915"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35565"
                           xFract="0.7530391"
                           y3="0.08567"
                           yFract="0.01015047"
                           z3="8.38104"
                           zFract="0.37718452"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09838"
                           xFract="0.24862322"
                           y3="2.06956"
                           yFract="0.24520853"
                           z3="6.28757"
                           zFract="0.28296895"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01961"
                           xFract="-0.00232346"
                           y3="4.22347"
                           yFract="0.50041114"
                           z3="6.31467"
                           zFract="0.28418857"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.16205"
                           xFract="0.49313389"
                           y3="6.32816"
                           yFract="0.74978199"
                           z3="8.39452"
                           zFract="0.37779118"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10103"
                           xFract="0.2489372"
                           y3="4.18825"
                           yFract="0.49623815"
                           z3="8.40298"
                           zFract="0.37817192"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12497"
                           xFract="0.2517737"
                           y3="4.24672"
                           yFract="0.50316588"
                           z3="4.22609"
                           zFract="0.19019307"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32235"
                           xFract="0.7490936"
                           y3="4.13383"
                           yFract="0.48979028"
                           z3="8.37131"
                           zFract="0.37674662"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20547"
                           xFract="0.49827844"
                           y3="2.10579"
                           yFract="0.24950118"
                           z3="8.40032"
                           zFract="0.37805221"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20607"
                           xFract="0.49834953"
                           y3="6.3355"
                           yFract="0.75065166"
                           z3="4.23924"
                           zFract="0.19078488"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00059"
                           xFract="-0.00006991"
                           y3="0.02804"
                           yFract="0.00332227"
                           z3="6.31511"
                           zFract="0.28420837"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34548"
                           xFract="0.75183412"
                           y3="0.02862"
                           yFract="0.003391"
                           z3="4.25726"
                           zFract="0.19159586"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10729"
                           xFract="0.24967891"
                           y3="-0.02193"
                           yFract="-0.00259834"
                           z3="4.22682"
                           zFract="0.19022592"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01205"
                           xFract="0.00142773"
                           y3="6.34712"
                           yFract="0.75202844"
                           z3="4.17806"
                           zFract="0.1880315"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32287"
                           xFract="0.74915521"
                           y3="2.05411"
                           yFract="0.24337796"
                           z3="6.33538"
                           zFract="0.28512061"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15572"
                           xFract="0.01845024"
                           y3="6.3463"
                           yFract="0.75193128"
                           z3="8.35852"
                           zFract="0.37617102"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30135"
                           xFract="0.74660545"
                           y3="4.23276"
                           yFract="0.50151185"
                           z3="4.21814"
                           zFract="0.18983528"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21571"
                           xFract="0.49949171"
                           y3="2.08201"
                           yFract="0.24668365"
                           z3="4.23441"
                           zFract="0.19056751"/>
                     <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="0.07489"
                           xFract="0.00887322"
                           y3="2.1238"
                           yFract="0.25163507"
                           z3="6.33997"
                           zFract="0.28532718"/>
                     <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="2.24431"
                           xFract="0.26591351"
                           y3="-0.0485"
                           yFract="-0.00574645"
                           z3="6.40036"
                           zFract="0.288045"/>
                     <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="0.04657"
                           xFract="0.00551777"
                           y3="0.19843"
                           yFract="0.02351066"
                           z3="4.20617"
                           zFract="0.18929658"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02526"
                           xFract="-0.00299289"
                           y3="-0.06074"
                           yFract="-0.00719668"
                           z3="8.57352"
                           zFract="0.38584698"/>
                     <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="1.97059"
                           xFract="0.23348223"
                           y3="2.18844"
                           yFract="0.25929384"
                           z3="4.1814"
                           zFract="0.18818182"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08658"
                           xFract="0.24722512"
                           y3="2.10005"
                           yFract="0.24882109"
                           z3="8.45034"
                           zFract="0.38030333"/>
                     <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="4.13291"
                           xFract="0.48968128"
                           y3="2.10165"
                           yFract="0.24901066"
                           z3="6.35107"
                           zFract="0.28582673"/>
                     <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="6.17241"
                           xFract="0.7313282"
                           y3="-0.16842"
                           yFract="-0.01995498"
                           z3="6.39866"
                           zFract="0.2879685"/>
                     <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="4.18755"
                           xFract="0.49615521"
                           y3="0.0553"
                           yFract="0.00655213"
                           z3="4.31921"
                           zFract="0.19438389"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22606"
                           xFract="0.50071801"
                           y3="0.01546"
                           yFract="0.00183175"
                           z3="8.53342"
                           zFract="0.3840423"/>
                     <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="6.52904"
                           xFract="0.77358294"
                           y3="2.1341"
                           yFract="0.25285545"
                           z3="4.28263"
                           zFract="0.19273762"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33952"
                           xFract="0.75112796"
                           y3="2.10677"
                           yFract="0.2496173"
                           z3="8.47732"
                           zFract="0.38151755"/>
                     <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="-0.04518"
                           xFract="-0.00535308"
                           y3="6.34298"
                           yFract="0.75153791"
                           z3="6.2703"
                           zFract="0.28219172"/>
                     <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="2.09707"
                           xFract="0.24846801"
                           y3="4.23317"
                           yFract="0.50156043"
                           z3="6.35142"
                           zFract="0.28584248"/>
                     <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="0.0328"
                           xFract="0.00388626"
                           y3="4.07328"
                           yFract="0.48261611"
                           z3="4.26008"
                           zFract="0.19172277"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02605"
                           xFract="-0.00308649"
                           y3="4.27524"
                           yFract="0.50654502"
                           z3="8.42704"
                           zFract="0.37925473"/>
                     <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="2.05139"
                           xFract="0.24305569"
                           y3="6.2682"
                           yFract="0.74267773"
                           z3="4.29513"
                           zFract="0.19330018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15878"
                           xFract="0.25577962"
                           y3="6.32585"
                           yFract="0.74950829"
                           z3="8.54424"
                           zFract="0.38452925"/>
                     <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="4.26232"
                           xFract="0.50501422"
                           y3="6.31263"
                           yFract="0.74794194"
                           z3="6.38341"
                           zFract="0.28728218"/>
                     <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="6.31993"
                           xFract="0.74880687"
                           y3="4.36909"
                           yFract="0.51766469"
                           z3="6.37856"
                           zFract="0.28706391"/>
                     <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="4.19198"
                           xFract="0.49668009"
                           y3="4.13092"
                           yFract="0.4894455"
                           z3="4.30096"
                           zFract="0.19356256"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21871"
                           xFract="0.49984716"
                           y3="4.19431"
                           yFract="0.49695616"
                           z3="8.52018"
                           zFract="0.38344644"/>
                     <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="6.39098"
                           xFract="0.75722512"
                           y3="6.33371"
                           yFract="0.75043957"
                           z3="4.19608"
                           zFract="0.18884248"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19513"
                           xFract="0.73402014"
                           y3="6.32192"
                           yFract="0.74904265"
                           z3="8.91979"
                           zFract="0.40143069"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38776"
                           xFract="0.7568436"
                           y3="6.34214"
                           yFract="0.75143839"
                           z3="9.88563"
                           zFract="0.44489784"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20692"
                           xFract="0.49845024"
                           y3="4.19587"
                           yFract="0.497141"
                           z3="6.37504"
                           zFract="0.28690549"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31855"
                           xFract="0.74864336"
                           y3="6.33638"
                           yFract="0.75075592"
                           z3="6.22121"
                           zFract="0.27998245"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12243"
                           xFract="0.25147275"
                           y3="6.3271"
                           yFract="0.7496564"
                           z3="6.33821"
                           zFract="0.28524797"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02911"
                           xFract="0.00344905"
                           y3="2.14184"
                           yFract="0.25377251"
                           z3="4.22229"
                           zFract="0.19002205"/>
                     <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="0.0017"
                           xFract="0.00020142"
                           y3="2.10283"
                           yFract="0.24915047"
                           z3="8.40609"
                           zFract="0.37831188"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21451"
                           xFract="0.49934953"
                           y3="-0.01079"
                           yFract="-0.00127844"
                           z3="6.39176"
                           zFract="0.28765797"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08286"
                           xFract="0.24678436"
                           y3="0.02288"
                           yFract="0.0027109"
                           z3="8.44504"
                           zFract="0.38006481"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35562"
                           xFract="0.75303555"
                           y3="0.08471"
                           yFract="0.01003673"
                           z3="8.38306"
                           zFract="0.37727543"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09813"
                           xFract="0.2485936"
                           y3="2.06941"
                           yFract="0.24519076"
                           z3="6.28878"
                           zFract="0.2830234"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01923"
                           xFract="-0.00227844"
                           y3="4.22297"
                           yFract="0.5003519"
                           z3="6.31396"
                           zFract="0.28415662"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.16459"
                           xFract="0.49343483"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="8.39632"
                           zFract="0.37787219"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.10064"
                           xFract="0.248891"
                           y3="4.18782"
                           yFract="0.4961872"
                           z3="8.40287"
                           zFract="0.37816697"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1254"
                           xFract="0.25182464"
                           y3="4.2475"
                           yFract="0.50325829"
                           z3="4.22649"
                           zFract="0.19021107"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32206"
                           xFract="0.74905924"
                           y3="4.13509"
                           yFract="0.48993957"
                           z3="8.37287"
                           zFract="0.37681683"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20526"
                           xFract="0.49825355"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="8.39985"
                           zFract="0.37803105"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20614"
                           xFract="0.49835782"
                           y3="6.33573"
                           yFract="0.75067891"
                           z3="4.23921"
                           zFract="0.19078353"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00028"
                           xFract="-0.00003318"
                           y3="0.02867"
                           yFract="0.00339692"
                           z3="6.31501"
                           zFract="0.28420387"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34523"
                           xFract="0.7518045"
                           y3="0.02838"
                           yFract="0.00336256"
                           z3="4.25781"
                           zFract="0.19162061"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10813"
                           xFract="0.24977844"
                           y3="-0.02295"
                           yFract="-0.00271919"
                           z3="4.22709"
                           zFract="0.19023807"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01182"
                           xFract="0.00140047"
                           y3="6.34729"
                           yFract="0.75204858"
                           z3="4.17707"
                           zFract="0.18798695"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32208"
                           xFract="0.74906161"
                           y3="2.05316"
                           yFract="0.2432654"
                           z3="6.33638"
                           zFract="0.28516562"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15518"
                           xFract="0.01838626"
                           y3="6.34619"
                           yFract="0.75191825"
                           z3="8.35826"
                           zFract="0.37615932"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3002"
                           xFract="0.74646919"
                           y3="4.23377"
                           yFract="0.50163152"
                           z3="4.21838"
                           zFract="0.18984608"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21564"
                           xFract="0.49948341"
                           y3="2.08149"
                           yFract="0.24662204"
                           z3="4.23408"
                           zFract="0.19055266"/>
                     <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="0.07364"
                           xFract="0.00872512"
                           y3="2.12225"
                           yFract="0.25145142"
                           z3="6.34071"
                           zFract="0.28536049"/>
                     <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="2.24423"
                           xFract="0.26590403"
                           y3="-0.0487"
                           yFract="-0.00577014"
                           z3="6.4025"
                           zFract="0.28814131"/>
                     <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="0.04818"
                           xFract="0.00570853"
                           y3="0.2024"
                           yFract="0.02398104"
                           z3="4.20635"
                           zFract="0.18930468"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02515"
                           xFract="-0.00297986"
                           y3="-0.06288"
                           yFract="-0.00745024"
                           z3="8.57344"
                           zFract="0.38584338"/>
                     <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="1.9699"
                           xFract="0.23340047"
                           y3="2.18844"
                           yFract="0.25929384"
                           z3="4.18116"
                           zFract="0.18817102"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08571"
                           xFract="0.24712204"
                           y3="2.09948"
                           yFract="0.24875355"
                           z3="8.45105"
                           zFract="0.38033528"/>
                     <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="4.13465"
                           xFract="0.48988744"
                           y3="2.10123"
                           yFract="0.2489609"
                           z3="6.3520"
                           zFract="0.28586859"/>
                     <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="6.17025"
                           xFract="0.73107227"
                           y3="-0.16858"
                           yFract="-0.01997393"
                           z3="6.40287"
                           zFract="0.28815797"/>
                     <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="4.18651"
                           xFract="0.49603199"
                           y3="0.05684"
                           yFract="0.0067346"
                           z3="4.32012"
                           zFract="0.19442484"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2261"
                           xFract="0.50072275"
                           y3="0.01476"
                           yFract="0.00174882"
                           z3="8.53397"
                           zFract="0.38406706"/>
                     <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="6.53118"
                           xFract="0.77383649"
                           y3="2.13439"
                           yFract="0.25288981"
                           z3="4.28349"
                           zFract="0.19277633"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33953"
                           xFract="0.75112915"
                           y3="2.10581"
                           yFract="0.24950355"
                           z3="8.47421"
                           zFract="0.38137759"/>
                     <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="-0.04473"
                           xFract="-0.00529976"
                           y3="6.34502"
                           yFract="0.75177962"
                           z3="6.26949"
                           zFract="0.28215527"/>
                     <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="2.09663"
                           xFract="0.24841588"
                           y3="4.23309"
                           yFract="0.50155095"
                           z3="6.35229"
                           zFract="0.28588164"/>
                     <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="0.03214"
                           xFract="0.00380806"
                           y3="4.0710"
                           yFract="0.48234597"
                           z3="4.26046"
                           zFract="0.19173987"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02622"
                           xFract="-0.00310664"
                           y3="4.27784"
                           yFract="0.50685308"
                           z3="8.42601"
                           zFract="0.37920837"/>
                     <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="2.04995"
                           xFract="0.24288507"
                           y3="6.26805"
                           yFract="0.74265995"
                           z3="4.29563"
                           zFract="0.19332268"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15712"
                           xFract="0.25558294"
                           y3="6.3258"
                           yFract="0.74950237"
                           z3="8.54544"
                           zFract="0.38458326"/>
                     <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="4.26284"
                           xFract="0.50507583"
                           y3="6.31173"
                           yFract="0.74783531"
                           z3="6.3863"
                           zFract="0.28741224"/>
                     <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="6.32017"
                           xFract="0.74883531"
                           y3="4.3688"
                           yFract="0.51763033"
                           z3="6.38122"
                           zFract="0.28718362"/>
                     <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="4.19283"
                           xFract="0.49678081"
                           y3="4.12854"
                           yFract="0.48916351"
                           z3="4.30104"
                           zFract="0.19356616"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21902"
                           xFract="0.49988389"
                           y3="4.19459"
                           yFract="0.49698934"
                           z3="8.52001"
                           zFract="0.38343879"/>
                     <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="6.39287"
                           xFract="0.75744905"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="4.19506"
                           zFract="0.18879658"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19347"
                           xFract="0.73382346"
                           y3="6.32172"
                           yFract="0.74901896"
                           z3="8.92752"
                           zFract="0.40177858"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38784"
                           xFract="0.75685308"
                           y3="6.34205"
                           yFract="0.75142773"
                           z3="9.89138"
                           zFract="0.44515662"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20711"
                           xFract="0.49847275"
                           y3="4.19598"
                           yFract="0.49715403"
                           z3="6.37462"
                           zFract="0.28688659"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31835"
                           xFract="0.74861967"
                           y3="6.33645"
                           yFract="0.75076422"
                           z3="6.22121"
                           zFract="0.27998245"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1224"
                           xFract="0.25146919"
                           y3="6.32682"
                           yFract="0.74962322"
                           z3="6.3382"
                           zFract="0.28524752"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0298"
                           xFract="0.00353081"
                           y3="2.14156"
                           yFract="0.25373934"
                           z3="4.22274"
                           zFract="0.1900423"/>
                     <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="0.00177"
                           xFract="0.00020972"
                           y3="2.10276"
                           yFract="0.24914218"
                           z3="8.40614"
                           zFract="0.37831413"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21391"
                           xFract="0.49927844"
                           y3="-0.01168"
                           yFract="-0.00138389"
                           z3="6.39198"
                           zFract="0.28766787"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08305"
                           xFract="0.24680687"
                           y3="0.02259"
                           yFract="0.00267654"
                           z3="8.4454"
                           zFract="0.38008101"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35542"
                           xFract="0.75301185"
                           y3="0.08336"
                           yFract="0.00987678"
                           z3="8.38631"
                           zFract="0.37742169"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09811"
                           xFract="0.24859123"
                           y3="2.06931"
                           yFract="0.24517891"
                           z3="6.29079"
                           zFract="0.28311386"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.01972"
                           xFract="-0.00233649"
                           y3="4.22347"
                           yFract="0.50041114"
                           z3="6.3135"
                           zFract="0.28413591"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.16424"
                           xFract="0.49339336"
                           y3="6.32725"
                           yFract="0.74967417"
                           z3="8.39911"
                           zFract="0.37799775"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1001"
                           xFract="0.24882701"
                           y3="4.1879"
                           yFract="0.49619668"
                           z3="8.40278"
                           zFract="0.37816292"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12523"
                           xFract="0.2518045"
                           y3="4.24761"
                           yFract="0.50327133"
                           z3="4.22676"
                           zFract="0.19022322"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32261"
                           xFract="0.74912441"
                           y3="4.13608"
                           yFract="0.49005687"
                           z3="8.37487"
                           zFract="0.37690684"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20469"
                           xFract="0.49818602"
                           y3="2.10578"
                           yFract="0.2495"
                           z3="8.39914"
                           zFract="0.3779991"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20594"
                           xFract="0.49833412"
                           y3="6.33623"
                           yFract="0.75073815"
                           z3="4.2397"
                           zFract="0.19080558"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00024"
                           xFract="-0.00002844"
                           y3="0.0283"
                           yFract="0.00335308"
                           z3="6.31461"
                           zFract="0.28418587"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3456"
                           xFract="0.75184834"
                           y3="0.02831"
                           yFract="0.00335427"
                           z3="4.25874"
                           zFract="0.19166247"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10835"
                           xFract="0.2498045"
                           y3="-0.02375"
                           yFract="-0.00281398"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01203"
                           xFract="0.00142536"
                           y3="6.34762"
                           yFract="0.75208768"
                           z3="4.17721"
                           zFract="0.18799325"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32161"
                           xFract="0.74900592"
                           y3="2.05338"
                           yFract="0.24329147"
                           z3="6.33682"
                           zFract="0.28518542"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.15359"
                           xFract="0.01819787"
                           y3="6.34563"
                           yFract="0.7518519"
                           z3="8.35831"
                           zFract="0.37616157"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29994"
                           xFract="0.74643839"
                           y3="4.23395"
                           yFract="0.50165284"
                           z3="4.21952"
                           zFract="0.18989739"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21583"
                           xFract="0.49950592"
                           y3="2.0813"
                           yFract="0.24659953"
                           z3="4.23331"
                           zFract="0.190518"/>
                     <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="0.07288"
                           xFract="0.00863507"
                           y3="2.12112"
                           yFract="0.25131754"
                           z3="6.34091"
                           zFract="0.28536949"/>
                     <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="2.24385"
                           xFract="0.265859"
                           y3="-0.04791"
                           yFract="-0.00567654"
                           z3="6.40339"
                           zFract="0.28818137"/>
                     <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="0.04906"
                           xFract="0.0058128"
                           y3="0.20362"
                           yFract="0.02412559"
                           z3="4.2068"
                           zFract="0.18932493"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02571"
                           xFract="-0.00304621"
                           y3="-0.06379"
                           yFract="-0.00755806"
                           z3="8.57277"
                           zFract="0.38581323"/>
                     <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="1.97055"
                           xFract="0.23347749"
                           y3="2.18839"
                           yFract="0.25928791"
                           z3="4.18247"
                           zFract="0.18822997"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08536"
                           xFract="0.24708057"
                           y3="2.09963"
                           yFract="0.24877133"
                           z3="8.45217"
                           zFract="0.38038569"/>
                     <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="4.13569"
                           xFract="0.49001066"
                           y3="2.10069"
                           yFract="0.24889692"
                           z3="6.3528"
                           zFract="0.28590459"/>
                     <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="6.16995"
                           xFract="0.73103673"
                           y3="-0.16802"
                           yFract="-0.01990758"
                           z3="6.40487"
                           zFract="0.28824797"/>
                     <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="4.18621"
                           xFract="0.49599645"
                           y3="0.05666"
                           yFract="0.00671327"
                           z3="4.3205"
                           zFract="0.19444194"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22649"
                           xFract="0.50076896"
                           y3="0.01385"
                           yFract="0.001641"
                           z3="8.53435"
                           zFract="0.38408416"/>
                     <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="6.53027"
                           xFract="0.77372867"
                           y3="2.13406"
                           yFract="0.25285071"
                           z3="4.28372"
                           zFract="0.19278668"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33968"
                           xFract="0.75114692"
                           y3="2.10564"
                           yFract="0.24948341"
                           z3="8.47292"
                           zFract="0.38131953"/>
                     <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="-0.04427"
                           xFract="-0.00524526"
                           y3="6.34641"
                           yFract="0.75194431"
                           z3="6.26907"
                           zFract="0.28213636"/>
                     <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="4.23215"
                           yFract="0.50143957"
                           z3="6.35204"
                           zFract="0.28587039"/>
                     <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="0.03143"
                           xFract="0.00372393"
                           y3="4.07136"
                           yFract="0.48238863"
                           z3="4.26095"
                           zFract="0.19176193"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02658"
                           xFract="-0.00314929"
                           y3="4.27925"
                           yFract="0.50702014"
                           z3="8.42637"
                           zFract="0.37922457"/>
                     <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="2.04933"
                           xFract="0.24281161"
                           y3="6.26843"
                           yFract="0.74270498"
                           z3="4.29599"
                           zFract="0.19333888"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15732"
                           xFract="0.25560664"
                           y3="6.32548"
                           yFract="0.74946445"
                           z3="8.54595"
                           zFract="0.38460621"/>
                     <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="4.26284"
                           xFract="0.50507583"
                           y3="6.31102"
                           yFract="0.74775118"
                           z3="6.38805"
                           zFract="0.287491"/>
                     <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="4.36847"
                           yFract="0.51759123"
                           z3="6.38163"
                           zFract="0.28720207"/>
                     <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="4.19335"
                           xFract="0.49684242"
                           y3="4.1279"
                           yFract="0.48908768"
                           z3="4.30056"
                           zFract="0.19354455"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2196"
                           xFract="0.49995261"
                           y3="4.19509"
                           yFract="0.49704858"
                           z3="8.52032"
                           zFract="0.38345275"/>
                     <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="6.39414"
                           xFract="0.75759953"
                           y3="6.33463"
                           yFract="0.75054858"
                           z3="4.19506"
                           zFract="0.18879658"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19391"
                           xFract="0.73387559"
                           y3="6.32146"
                           yFract="0.74898815"
                           z3="8.93462"
                           zFract="0.40209811"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38806"
                           xFract="0.75687915"
                           y3="6.34177"
                           yFract="0.75139455"
                           z3="9.90862"
                           zFract="0.44593249"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20766"
                           xFract="0.49853791"
                           y3="4.19632"
                           yFract="0.49719431"
                           z3="6.37337"
                           zFract="0.28683033"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31775"
                           xFract="0.74854858"
                           y3="6.33667"
                           yFract="0.75079028"
                           z3="6.22121"
                           zFract="0.27998245"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1223"
                           xFract="0.25145735"
                           y3="6.32597"
                           yFract="0.74952251"
                           z3="6.33818"
                           zFract="0.28524662"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03189"
                           xFract="0.00377844"
                           y3="2.1407"
                           yFract="0.25363744"
                           z3="4.22407"
                           zFract="0.19010216"/>
                     <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="0.00199"
                           xFract="0.00023578"
                           y3="2.10255"
                           yFract="0.2491173"
                           z3="8.40629"
                           zFract="0.37832088"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21214"
                           xFract="0.49906872"
                           y3="-0.01433"
                           yFract="-0.00169787"
                           z3="6.39263"
                           zFract="0.28769712"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08363"
                           xFract="0.24687559"
                           y3="0.02173"
                           yFract="0.00257464"
                           z3="8.4465"
                           zFract="0.38013051"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35481"
                           xFract="0.75293957"
                           y3="0.07931"
                           yFract="0.00939692"
                           z3="8.39606"
                           zFract="0.37786049"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09807"
                           xFract="0.24858649"
                           y3="2.06903"
                           yFract="0.24514573"
                           z3="6.29683"
                           zFract="0.28338569"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02118"
                           xFract="-0.00250948"
                           y3="4.2250"
                           yFract="0.50059242"
                           z3="6.31215"
                           zFract="0.28407516"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1632"
                           xFract="0.49327014"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="8.40746"
                           zFract="0.37837354"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09851"
                           xFract="0.24863863"
                           y3="4.18814"
                           yFract="0.49622512"
                           z3="8.40252"
                           zFract="0.37815122"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12473"
                           xFract="0.25174526"
                           y3="4.24792"
                           yFract="0.50330806"
                           z3="4.22755"
                           zFract="0.19025878"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32428"
                           xFract="0.74932227"
                           y3="4.13904"
                           yFract="0.49040758"
                           z3="8.38088"
                           zFract="0.37717732"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20298"
                           xFract="0.49798341"
                           y3="2.10496"
                           yFract="0.24940284"
                           z3="8.39701"
                           zFract="0.37790324"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20535"
                           xFract="0.49826422"
                           y3="6.33775"
                           yFract="0.75091825"
                           z3="4.24116"
                           zFract="0.19087129"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00014"
                           xFract="-0.00001659"
                           y3="0.0272"
                           yFract="0.00322275"
                           z3="6.31342"
                           zFract="0.28413231"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34669"
                           xFract="0.75197749"
                           y3="0.0281"
                           yFract="0.00332938"
                           z3="4.2615"
                           zFract="0.19178668"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10903"
                           xFract="0.24988507"
                           y3="-0.02612"
                           yFract="-0.00309479"
                           z3="4.22916"
                           zFract="0.19033123"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01266"
                           xFract="0.0015"
                           y3="6.3486"
                           yFract="0.75220379"
                           z3="4.17762"
                           zFract="0.1880117"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3202"
                           xFract="0.74883886"
                           y3="2.05405"
                           yFract="0.24337085"
                           z3="6.33814"
                           zFract="0.28524482"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.14881"
                           xFract="0.01763152"
                           y3="6.34395"
                           yFract="0.75165284"
                           z3="8.35846"
                           zFract="0.37616832"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29918"
                           xFract="0.74634834"
                           y3="4.2345"
                           yFract="0.50171801"
                           z3="4.22293"
                           zFract="0.19005086"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2164"
                           xFract="0.49957346"
                           y3="2.08072"
                           yFract="0.24653081"
                           z3="4.2310"
                           zFract="0.19041404"/>
                     <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="0.07059"
                           xFract="0.00836374"
                           y3="2.11776"
                           yFract="0.25091943"
                           z3="6.34151"
                           zFract="0.28539649"/>
                     <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="2.2427"
                           xFract="0.26572275"
                           y3="-0.04555"
                           yFract="-0.00539692"
                           z3="6.40604"
                           zFract="0.28830063"/>
                     <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="0.05167"
                           xFract="0.00612204"
                           y3="0.2073"
                           yFract="0.02456161"
                           z3="4.20816"
                           zFract="0.18938614"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02741"
                           xFract="-0.00324763"
                           y3="-0.06651"
                           yFract="-0.00788033"
                           z3="8.57077"
                           zFract="0.38572322"/>
                     <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="1.97248"
                           xFract="0.23370616"
                           y3="2.18826"
                           yFract="0.25927251"
                           z3="4.18639"
                           zFract="0.18840639"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="2.10009"
                           yFract="0.24882583"
                           z3="8.45556"
                           zFract="0.38053825"/>
                     <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="4.13881"
                           xFract="0.49038033"
                           y3="2.09904"
                           yFract="0.24870142"
                           z3="6.3552"
                           zFract="0.2860126"/>
                     <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="6.16904"
                           xFract="0.73092891"
                           y3="-0.16637"
                           yFract="-0.01971209"
                           z3="6.41087"
                           zFract="0.288518"/>
                     <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="4.18534"
                           xFract="0.49589336"
                           y3="0.05612"
                           yFract="0.00664929"
                           z3="4.32163"
                           zFract="0.1944928"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22766"
                           xFract="0.50090758"
                           y3="0.01112"
                           yFract="0.00131754"
                           z3="8.53549"
                           zFract="0.38413546"/>
                     <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="6.52755"
                           xFract="0.7734064"
                           y3="2.13307"
                           yFract="0.25273341"
                           z3="4.28444"
                           zFract="0.19281908"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34013"
                           xFract="0.75120024"
                           y3="2.10513"
                           yFract="0.24942299"
                           z3="8.46906"
                           zFract="0.38114581"/>
                     <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="-0.0429"
                           xFract="-0.00508294"
                           y3="6.35058"
                           yFract="0.75243839"
                           z3="6.2678"
                           zFract="0.28207921"/>
                     <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="2.0961"
                           xFract="0.24835308"
                           y3="4.22933"
                           yFract="0.50110545"
                           z3="6.35129"
                           zFract="0.28583663"/>
                     <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="0.02929"
                           xFract="0.00347038"
                           y3="4.07243"
                           yFract="0.4825154"
                           z3="4.26243"
                           zFract="0.19182853"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02767"
                           xFract="-0.00327844"
                           y3="4.28347"
                           yFract="0.50752014"
                           z3="8.42745"
                           zFract="0.37927318"/>
                     <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="2.04745"
                           xFract="0.24258886"
                           y3="6.26957"
                           yFract="0.74284005"
                           z3="4.29708"
                           zFract="0.19338794"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15792"
                           xFract="0.25567773"
                           y3="6.32455"
                           yFract="0.74935427"
                           z3="8.54747"
                           zFract="0.38467462"/>
                     <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="4.26285"
                           xFract="0.50507701"
                           y3="6.30889"
                           yFract="0.74749882"
                           z3="6.39329"
                           zFract="0.28772682"/>
                     <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="6.32041"
                           xFract="0.74886374"
                           y3="4.36745"
                           yFract="0.51747038"
                           z3="6.38288"
                           zFract="0.28725833"/>
                     <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="4.19491"
                           xFract="0.49702725"
                           y3="4.12599"
                           yFract="0.48886137"
                           z3="4.29912"
                           zFract="0.19347975"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22135"
                           xFract="0.50015995"
                           y3="4.1966"
                           yFract="0.49722749"
                           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="6.39796"
                           xFract="0.75805213"
                           y3="6.33604"
                           yFract="0.75071564"
                           z3="4.19506"
                           zFract="0.18879658"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19523"
                           xFract="0.73403199"
                           y3="6.32068"
                           yFract="0.74889573"
                           z3="8.95593"
                           zFract="0.40305716"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38852"
                           xFract="0.75693365"
                           y3="6.34121"
                           yFract="0.7513282"
                           z3="9.9431"
                           zFract="0.44748425"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20876"
                           xFract="0.49866825"
                           y3="4.19701"
                           yFract="0.49727607"
                           z3="6.37085"
                           zFract="0.28671692"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31655"
                           xFract="0.7484064"
                           y3="6.3371"
                           yFract="0.75084123"
                           z3="6.2212"
                           zFract="0.279982"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12211"
                           xFract="0.25143483"
                           y3="6.32427"
                           yFract="0.74932109"
                           z3="6.33813"
                           zFract="0.28524437"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03606"
                           xFract="0.00427251"
                           y3="2.13899"
                           yFract="0.25343483"
                           z3="4.22675"
                           zFract="0.19022277"/>
                     <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="0.00242"
                           xFract="0.00028673"
                           y3="2.10213"
                           yFract="0.24906754"
                           z3="8.40658"
                           zFract="0.37833393"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20859"
                           xFract="0.4986481"
                           y3="-0.01962"
                           yFract="-0.00232464"
                           z3="6.39394"
                           zFract="0.28775608"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08478"
                           xFract="0.24701185"
                           y3="0.02002"
                           yFract="0.00237204"
                           z3="8.4487"
                           zFract="0.38022952"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35359"
                           xFract="0.75279502"
                           y3="0.07121"
                           yFract="0.0084372"
                           z3="8.41557"
                           zFract="0.37873852"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09799"
                           xFract="0.24857701"
                           y3="2.06847"
                           yFract="0.24507938"
                           z3="6.30891"
                           zFract="0.28392934"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02411"
                           xFract="-0.00285664"
                           y3="4.22804"
                           yFract="0.50095261"
                           z3="6.30943"
                           zFract="0.28395275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.16111"
                           xFract="0.49302251"
                           y3="6.32428"
                           yFract="0.74932227"
                           z3="8.42417"
                           zFract="0.37912556"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09531"
                           xFract="0.24825948"
                           y3="4.18861"
                           yFract="0.49628081"
                           z3="8.40199"
                           zFract="0.37812736"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12372"
                           xFract="0.25162559"
                           y3="4.24855"
                           yFract="0.5033827"
                           z3="4.22914"
                           zFract="0.19033033"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3276"
                           xFract="0.74971564"
                           y3="4.14498"
                           yFract="0.49111137"
                           z3="8.39288"
                           zFract="0.37771737"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19955"
                           xFract="0.49757701"
                           y3="2.10333"
                           yFract="0.24920972"
                           z3="8.39275"
                           zFract="0.37771152"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20418"
                           xFract="0.49812559"
                           y3="6.34078"
                           yFract="0.75127725"
                           z3="4.2441"
                           zFract="0.1910036"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="0.00006"
                           xFract="0.00000711"
                           y3="0.0250"
                           yFract="0.00296209"
                           z3="6.31104"
                           zFract="0.2840252"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34888"
                           xFract="0.75223697"
                           y3="0.02768"
                           yFract="0.00327962"
                           z3="4.26702"
                           zFract="0.1920351"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11037"
                           xFract="0.25004384"
                           y3="-0.03088"
                           yFract="-0.00365877"
                           z3="4.23226"
                           zFract="0.19047075"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01393"
                           xFract="0.00165047"
                           y3="6.35058"
                           yFract="0.75243839"
                           z3="4.17844"
                           zFract="0.1880486"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31738"
                           xFract="0.74850474"
                           y3="2.05538"
                           yFract="0.24352844"
                           z3="6.34079"
                           zFract="0.28536409"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13924"
                           xFract="0.01649763"
                           y3="6.34058"
                           yFract="0.75125355"
                           z3="8.35876"
                           zFract="0.37618182"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29766"
                           xFract="0.74616825"
                           y3="4.2356"
                           yFract="0.50184834"
                           z3="4.22975"
                           zFract="0.19035779"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21755"
                           xFract="0.49970972"
                           y3="2.07957"
                           yFract="0.24639455"
                           z3="4.22637"
                           zFract="0.19020567"/>
                     <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="0.06601"
                           xFract="0.00782109"
                           y3="2.11102"
                           yFract="0.25012085"
                           z3="6.34273"
                           zFract="0.2854514"/>
                     <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="2.24041"
                           xFract="0.26545142"
                           y3="-0.04082"
                           yFract="-0.00483649"
                           z3="6.41135"
                           zFract="0.2885396"/>
                     <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="0.05691"
                           xFract="0.00674289"
                           y3="0.21465"
                           yFract="0.02543246"
                           z3="4.21088"
                           zFract="0.18950855"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03081"
                           xFract="-0.00365047"
                           y3="-0.07194"
                           yFract="-0.0085237"
                           z3="8.56678"
                           zFract="0.38554365"/>
                     <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="1.97633"
                           xFract="0.23416232"
                           y3="2.18799"
                           yFract="0.25924052"
                           z3="4.19422"
                           zFract="0.18875878"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08218"
                           xFract="0.24670379"
                           y3="2.1010"
                           yFract="0.24893365"
                           z3="8.46232"
                           zFract="0.38084248"/>
                     <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="4.14506"
                           xFract="0.49112085"
                           y3="2.09576"
                           yFract="0.2483128"
                           z3="6.36001"
                           zFract="0.28622907"/>
                     <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="6.16722"
                           xFract="0.73071327"
                           y3="-0.16306"
                           yFract="-0.01931991"
                           z3="6.42286"
                           zFract="0.28905761"/>
                     <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="4.18359"
                           xFract="0.49568602"
                           y3="0.05503"
                           yFract="0.00652014"
                           z3="4.32389"
                           zFract="0.19459451"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2300"
                           xFract="0.50118483"
                           y3="0.00566"
                           yFract="0.00067062"
                           z3="8.53777"
                           zFract="0.38423807"/>
                     <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="6.52212"
                           xFract="0.77276303"
                           y3="2.13108"
                           yFract="0.25249763"
                           z3="4.28587"
                           zFract="0.19288344"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34104"
                           xFract="0.75130806"
                           y3="2.10411"
                           yFract="0.24930213"
                           z3="8.46133"
                           zFract="0.38079793"/>
                     <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="-0.04017"
                           xFract="-0.00475948"
                           y3="6.35892"
                           yFract="0.75342654"
                           z3="6.26526"
                           zFract="0.2819649"/>
                     <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="2.09529"
                           xFract="0.24825711"
                           y3="4.22369"
                           yFract="0.5004372"
                           z3="6.34979"
                           zFract="0.28576913"/>
                     <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="0.0250"
                           xFract="0.00296209"
                           y3="4.07457"
                           yFract="0.48276896"
                           z3="4.26537"
                           zFract="0.19196085"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.02986"
                           xFract="-0.00353791"
                           y3="4.29193"
                           yFract="0.50852251"
                           z3="8.42961"
                           zFract="0.37937039"/>
                     <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="2.04371"
                           xFract="0.24214573"
                           y3="6.27185"
                           yFract="0.74311019"
                           z3="4.29925"
                           zFract="0.1934856"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15913"
                           xFract="0.25582109"
                           y3="6.32268"
                           yFract="0.7491327"
                           z3="8.55052"
                           zFract="0.38481188"/>
                     <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="4.26286"
                           xFract="0.5050782"
                           y3="6.30463"
                           yFract="0.74699408"
                           z3="6.40376"
                           zFract="0.28819802"/>
                     <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="6.32077"
                           xFract="0.7489064"
                           y3="4.36543"
                           yFract="0.51723104"
                           z3="6.38538"
                           zFract="0.28737084"/>
                     <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="4.19804"
                           xFract="0.4973981"
                           y3="4.12217"
                           yFract="0.48840877"
                           z3="4.29623"
                           zFract="0.19334968"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22483"
                           xFract="0.50057227"
                           y3="4.19961"
                           yFract="0.49758412"
                           z3="8.52315"
                           zFract="0.38358011"/>
                     <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="6.40559"
                           xFract="0.75895616"
                           y3="6.33886"
                           yFract="0.75104976"
                           z3="4.19506"
                           zFract="0.18879658"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19788"
                           xFract="0.73434597"
                           y3="6.31913"
                           yFract="0.74871209"
                           z3="8.99854"
                           zFract="0.4049748"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38926"
                           xFract="0.75702133"
                           y3="6.34091"
                           yFract="0.75129265"
                           z3="9.95777"
                           zFract="0.44814446"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.20965"
                           xFract="0.4987737"
                           y3="4.19766"
                           yFract="0.49735308"
                           z3="6.37066"
                           zFract="0.28670837"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31645"
                           xFract="0.74839455"
                           y3="6.33778"
                           yFract="0.7509218"
                           z3="6.22207"
                           zFract="0.28002115"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12191"
                           xFract="0.25141114"
                           y3="6.32403"
                           yFract="0.74929265"
                           z3="6.33884"
                           zFract="0.28527633"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03615"
                           xFract="0.00428318"
                           y3="2.13905"
                           yFract="0.25344194"
                           z3="4.22742"
                           zFract="0.19025293"/>
                     <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="0.00195"
                           xFract="0.00023104"
                           y3="2.10175"
                           yFract="0.24902251"
                           z3="8.40674"
                           zFract="0.37834113"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20791"
                           xFract="0.49856754"
                           y3="-0.02123"
                           yFract="-0.0025154"
                           z3="6.39509"
                           zFract="0.28780783"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08489"
                           xFract="0.24702488"
                           y3="0.01853"
                           yFract="0.0021955"
                           z3="8.44955"
                           zFract="0.38026778"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3531"
                           xFract="0.75273697"
                           y3="0.06916"
                           yFract="0.00819431"
                           z3="8.42088"
                           zFract="0.3789775"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09816"
                           xFract="0.24859716"
                           y3="2.06846"
                           yFract="0.2450782"
                           z3="6.3116"
                           zFract="0.28405041"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02527"
                           xFract="-0.00299408"
                           y3="4.22909"
                           yFract="0.50107701"
                           z3="6.30922"
                           zFract="0.28394329"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15983"
                           xFract="0.49287085"
                           y3="6.32358"
                           yFract="0.74923934"
                           z3="8.4292"
                           zFract="0.37935194"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09471"
                           xFract="0.24818839"
                           y3="4.18957"
                           yFract="0.49639455"
                           z3="8.40203"
                           zFract="0.37812916"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12326"
                           xFract="0.25157109"
                           y3="4.24808"
                           yFract="0.50332701"
                           z3="4.22949"
                           zFract="0.19034608"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32841"
                           xFract="0.74981161"
                           y3="4.14611"
                           yFract="0.49124526"
                           z3="8.3960"
                           zFract="0.37785779"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19922"
                           xFract="0.49753791"
                           y3="2.1029"
                           yFract="0.24915877"
                           z3="8.39214"
                           zFract="0.37768407"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20389"
                           xFract="0.49809123"
                           y3="6.34165"
                           yFract="0.75138033"
                           z3="4.24524"
                           zFract="0.19105491"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00032"
                           xFract="-0.00003791"
                           y3="0.02406"
                           yFract="0.00285071"
                           z3="6.31067"
                           zFract="0.28400855"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.34983"
                           xFract="0.75234953"
                           y3="0.02771"
                           yFract="0.00328318"
                           z3="4.26885"
                           zFract="0.19211746"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11049"
                           xFract="0.25005806"
                           y3="-0.03157"
                           yFract="-0.00374052"
                           z3="4.23317"
                           zFract="0.1905117"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01437"
                           xFract="0.00170261"
                           y3="6.35119"
                           yFract="0.75251066"
                           z3="4.17882"
                           zFract="0.18806571"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31693"
                           xFract="0.74845142"
                           y3="2.05617"
                           yFract="0.24362204"
                           z3="6.34143"
                           zFract="0.28539289"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13684"
                           xFract="0.01621327"
                           y3="6.34004"
                           yFract="0.75118957"
                           z3="8.35941"
                           zFract="0.37621107"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29783"
                           xFract="0.74618839"
                           y3="4.23543"
                           yFract="0.5018282"
                           z3="4.23151"
                           zFract="0.19043699"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2178"
                           xFract="0.49973934"
                           y3="2.07914"
                           yFract="0.2463436"
                           z3="4.22543"
                           zFract="0.19016337"/>
                     <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="0.06519"
                           xFract="0.00772393"
                           y3="2.1099"
                           yFract="0.24998815"
                           z3="6.34294"
                           zFract="0.28546085"/>
                     <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="2.23986"
                           xFract="0.26538626"
                           y3="-0.03939"
                           yFract="-0.00466706"
                           z3="6.41237"
                           zFract="0.28858551"/>
                     <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="0.05803"
                           xFract="0.00687559"
                           y3="0.21452"
                           yFract="0.02541706"
                           z3="4.21161"
                           zFract="0.1895414"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03168"
                           xFract="-0.00375355"
                           y3="-0.0727"
                           yFract="-0.00861374"
                           z3="8.56571"
                           zFract="0.3854955"/>
                     <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="1.97807"
                           xFract="0.23436848"
                           y3="2.18797"
                           yFract="0.25923815"
                           z3="4.19679"
                           zFract="0.18887444"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08204"
                           xFract="0.2466872"
                           y3="2.10154"
                           yFract="0.24899763"
                           z3="8.46438"
                           zFract="0.38093519"/>
                     <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="4.14584"
                           xFract="0.49121327"
                           y3="2.09483"
                           yFract="0.24820261"
                           z3="6.36077"
                           zFract="0.28626328"/>
                     <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="6.16711"
                           xFract="0.73070024"
                           y3="-0.16297"
                           yFract="-0.01930924"
                           z3="6.42532"
                           zFract="0.28916832"/>
                     <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="4.18348"
                           xFract="0.49567299"
                           y3="0.05358"
                           yFract="0.00634834"
                           z3="4.32444"
                           zFract="0.19461926"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23027"
                           xFract="0.50121682"
                           y3="0.00456"
                           yFract="0.00054028"
                           z3="8.5388"
                           zFract="0.38428443"/>
                     <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="6.51995"
                           xFract="0.77250592"
                           y3="2.12996"
                           yFract="0.25236493"
                           z3="4.28623"
                           zFract="0.19289964"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3417"
                           xFract="0.75138626"
                           y3="2.1043"
                           yFract="0.24932464"
                           z3="8.46077"
                           zFract="0.38077273"/>
                     <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="-0.03943"
                           xFract="-0.0046718"
                           y3="6.36039"
                           yFract="0.75360071"
                           z3="6.26489"
                           zFract="0.28194824"/>
                     <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="2.09502"
                           xFract="0.24822512"
                           y3="4.22185"
                           yFract="0.50021919"
                           z3="6.34929"
                           zFract="0.28574662"/>
                     <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="0.02425"
                           xFract="0.00287322"
                           y3="4.07571"
                           yFract="0.48290403"
                           z3="4.26602"
                           zFract="0.1919901"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03044"
                           xFract="-0.00360664"
                           y3="4.29306"
                           yFract="0.5086564"
                           z3="8.43053"
                           zFract="0.37941179"/>
                     <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="2.04312"
                           xFract="0.24207583"
                           y3="6.27223"
                           yFract="0.74315521"
                           z3="4.29986"
                           zFract="0.19351305"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15921"
                           xFract="0.25583057"
                           y3="6.32205"
                           yFract="0.74905806"
                           z3="8.55097"
                           zFract="0.38483213"/>
                     <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="4.2626"
                           xFract="0.50504739"
                           y3="6.30362"
                           yFract="0.74687441"
                           z3="6.40645"
                           zFract="0.28831908"/>
                     <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="6.32087"
                           xFract="0.74891825"
                           y3="4.36541"
                           yFract="0.51722867"
                           z3="6.38578"
                           zFract="0.28738884"/>
                     <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="4.19833"
                           xFract="0.49743246"
                           y3="4.12259"
                           yFract="0.48845853"
                           z3="4.29542"
                           zFract="0.19331323"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22556"
                           xFract="0.50065877"
                           y3="4.19998"
                           yFract="0.49762796"
                           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="6.40748"
                           xFract="0.75918009"
                           y3="6.33979"
                           yFract="0.75115995"
                           z3="4.19567"
                           zFract="0.18882403"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19784"
                           xFract="0.73434123"
                           y3="6.3187"
                           yFract="0.74866114"
                           z3="9.00428"
                           zFract="0.40523312"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a31" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.39031"
                           xFract="0.75714573"
                           y3="6.34048"
                           yFract="0.75124171"
                           z3="9.97854"
                           zFract="0.44907921"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2109"
                           xFract="0.4989218"
                           y3="4.19858"
                           yFract="0.49746209"
                           z3="6.37038"
                           zFract="0.28669577"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31632"
                           xFract="0.74837915"
                           y3="6.33874"
                           yFract="0.75103555"
                           z3="6.2233"
                           zFract="0.28007651"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12164"
                           xFract="0.25137915"
                           y3="6.3237"
                           yFract="0.74925355"
                           z3="6.33985"
                           zFract="0.28532178"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03628"
                           xFract="0.00429858"
                           y3="2.13913"
                           yFract="0.25345142"
                           z3="4.22837"
                           zFract="0.19029568"/>
                     <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="0.00128"
                           xFract="0.00015166"
                           y3="2.10121"
                           yFract="0.24895853"
                           z3="8.40697"
                           zFract="0.37835149"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20696"
                           xFract="0.49845498"
                           y3="-0.02351"
                           yFract="-0.00278555"
                           z3="6.39672"
                           zFract="0.28788119"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08505"
                           xFract="0.24704384"
                           y3="0.01644"
                           yFract="0.00194787"
                           z3="8.45075"
                           zFract="0.38032178"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3524"
                           xFract="0.75265403"
                           y3="0.06625"
                           yFract="0.00784953"
                           z3="8.4284"
                           zFract="0.37931593"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09839"
                           xFract="0.24862441"
                           y3="2.06844"
                           yFract="0.24507583"
                           z3="6.3154"
                           zFract="0.28422142"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0269"
                           xFract="-0.0031872"
                           y3="4.23057"
                           yFract="0.50125237"
                           z3="6.30891"
                           zFract="0.28392934"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15801"
                           xFract="0.49265521"
                           y3="6.3226"
                           yFract="0.74912322"
                           z3="8.43634"
                           zFract="0.37967327"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09386"
                           xFract="0.24808768"
                           y3="4.19092"
                           yFract="0.4965545"
                           z3="8.4021"
                           zFract="0.37813231"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1226"
                           xFract="0.25149289"
                           y3="4.24743"
                           yFract="0.50325"
                           z3="4.22998"
                           zFract="0.19036814"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32955"
                           xFract="0.74994668"
                           y3="4.14771"
                           yFract="0.49143483"
                           z3="8.40043"
                           zFract="0.37805716"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19876"
                           xFract="0.49748341"
                           y3="2.1023"
                           yFract="0.24908768"
                           z3="8.39128"
                           zFract="0.37764536"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20348"
                           xFract="0.49804265"
                           y3="6.34287"
                           yFract="0.75152488"
                           z3="4.24687"
                           zFract="0.19112826"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00086"
                           xFract="-0.0001019"
                           y3="0.02274"
                           yFract="0.00269431"
                           z3="6.31014"
                           zFract="0.2839847"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35119"
                           xFract="0.75251066"
                           y3="0.02775"
                           yFract="0.00328791"
                           z3="4.27143"
                           zFract="0.19223357"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11065"
                           xFract="0.25007701"
                           y3="-0.03253"
                           yFract="-0.00385427"
                           z3="4.23444"
                           zFract="0.19056886"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0150"
                           xFract="0.00177725"
                           y3="6.35206"
                           yFract="0.75261374"
                           z3="4.17937"
                           zFract="0.18809046"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31628"
                           xFract="0.74837441"
                           y3="2.05729"
                           yFract="0.24375474"
                           z3="6.34234"
                           zFract="0.28543384"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13345"
                           xFract="0.01581161"
                           y3="6.33929"
                           yFract="0.75110071"
                           z3="8.36032"
                           zFract="0.37625203"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29807"
                           xFract="0.74621682"
                           y3="4.23518"
                           yFract="0.50179858"
                           z3="4.23401"
                           zFract="0.1905495"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21815"
                           xFract="0.49978081"
                           y3="2.07853"
                           yFract="0.24627133"
                           z3="4.2241"
                           zFract="0.19010351"/>
                     <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="0.06403"
                           xFract="0.00758649"
                           y3="2.1083"
                           yFract="0.24979858"
                           z3="6.34323"
                           zFract="0.2854739"/>
                     <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="2.23907"
                           xFract="0.26529265"
                           y3="-0.03736"
                           yFract="-0.00442654"
                           z3="6.41381"
                           zFract="0.28865032"/>
                     <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="0.05963"
                           xFract="0.00706517"
                           y3="0.21434"
                           yFract="0.02539573"
                           z3="4.21264"
                           zFract="0.18958776"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0329"
                           xFract="-0.0038981"
                           y3="-0.07377"
                           yFract="-0.00874052"
                           z3="8.56419"
                           zFract="0.38542709"/>
                     <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="1.98054"
                           xFract="0.23466114"
                           y3="2.18793"
                           yFract="0.25923341"
                           z3="4.20044"
                           zFract="0.1890387"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08184"
                           xFract="0.24666351"
                           y3="2.10231"
                           yFract="0.24908886"
                           z3="8.46731"
                           zFract="0.38106706"/>
                     <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="4.14695"
                           xFract="0.49134479"
                           y3="2.09352"
                           yFract="0.24804739"
                           z3="6.36186"
                           zFract="0.28631233"/>
                     <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="6.16697"
                           xFract="0.73068365"
                           y3="-0.16283"
                           yFract="-0.01929265"
                           z3="6.42881"
                           zFract="0.28932538"/>
                     <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="4.18332"
                           xFract="0.49565403"
                           y3="0.05153"
                           yFract="0.00610545"
                           z3="4.32523"
                           zFract="0.19465482"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23065"
                           xFract="0.50126185"
                           y3="0.0030"
                           yFract="0.00035545"
                           z3="8.54025"
                           zFract="0.38434968"/>
                     <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="6.51688"
                           xFract="0.77214218"
                           y3="2.12837"
                           yFract="0.25217654"
                           z3="4.28674"
                           zFract="0.19292259"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34263"
                           xFract="0.75149645"
                           y3="2.10457"
                           yFract="0.24935664"
                           z3="8.45998"
                           zFract="0.38073717"/>
                     <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="-0.03838"
                           xFract="-0.00454739"
                           y3="6.36248"
                           yFract="0.75384834"
                           z3="6.26436"
                           zFract="0.28192439"/>
                     <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="2.09464"
                           xFract="0.24818009"
                           y3="4.21925"
                           yFract="0.49991114"
                           z3="6.34858"
                           zFract="0.28571467"/>
                     <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="0.02318"
                           xFract="0.00274645"
                           y3="4.07733"
                           yFract="0.48309597"
                           z3="4.26694"
                           zFract="0.1920315"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03127"
                           xFract="-0.00370498"
                           y3="4.29465"
                           yFract="0.50884479"
                           z3="8.43185"
                           zFract="0.3794712"/>
                     <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="2.0423"
                           xFract="0.24197867"
                           y3="6.27277"
                           yFract="0.74321919"
                           z3="4.30072"
                           zFract="0.19355176"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15932"
                           xFract="0.2558436"
                           y3="6.32115"
                           yFract="0.74895142"
                           z3="8.55161"
                           zFract="0.38486094"/>
                     <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="4.26221"
                           xFract="0.50500118"
                           y3="6.30219"
                           yFract="0.74670498"
                           z3="6.41026"
                           zFract="0.28849055"/>
                     <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="6.32101"
                           xFract="0.74893483"
                           y3="4.36539"
                           yFract="0.5172263"
                           z3="6.38636"
                           zFract="0.28741494"/>
                     <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="4.19873"
                           xFract="0.49747986"
                           y3="4.12319"
                           yFract="0.48852962"
                           z3="4.29427"
                           zFract="0.19326148"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2266"
                           xFract="0.50078199"
                           y3="4.20052"
                           yFract="0.49769194"
                           z3="8.52502"
                           zFract="0.38366427"/>
                     <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="6.41016"
                           xFract="0.75949763"
                           y3="6.3411"
                           yFract="0.75131517"
                           z3="4.19653"
                           zFract="0.18886274"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19778"
                           xFract="0.73433412"
                           y3="6.31809"
                           yFract="0.74858886"
                           z3="9.01242"
                           zFract="0.40559946"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38964"
                           xFract="0.75706635"
                           y3="6.33963"
                           yFract="0.751141"
                           z3="9.99145"
                           zFract="0.44966022"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21241"
                           xFract="0.49910071"
                           y3="4.19969"
                           yFract="0.4975936"
                           z3="6.37071"
                           zFract="0.28671062"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31625"
                           xFract="0.74837085"
                           y3="6.34019"
                           yFract="0.75120735"
                           z3="6.22531"
                           zFract="0.28016697"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12136"
                           xFract="0.25134597"
                           y3="6.32365"
                           yFract="0.74924763"
                           z3="6.34151"
                           zFract="0.28539649"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03533"
                           xFract="0.00418602"
                           y3="2.13971"
                           yFract="0.25352014"
                           z3="4.22916"
                           zFract="0.19033123"/>
                     <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="0.00008"
                           xFract="0.00000948"
                           y3="2.10043"
                           yFract="0.24886611"
                           z3="8.40724"
                           zFract="0.37836364"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2067"
                           xFract="0.49842417"
                           y3="-0.02542"
                           yFract="-0.00301185"
                           z3="6.39889"
                           zFract="0.28797885"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08482"
                           xFract="0.24701659"
                           y3="0.01376"
                           yFract="0.00163033"
                           z3="8.45202"
                           zFract="0.38037894"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.35157"
                           xFract="0.75255569"
                           y3="0.06418"
                           yFract="0.00760427"
                           z3="8.43437"
                           zFract="0.37958461"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0987"
                           xFract="0.24866114"
                           y3="2.06863"
                           yFract="0.24509834"
                           z3="6.31786"
                           zFract="0.28433213"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02851"
                           xFract="-0.00337796"
                           y3="4.23189"
                           yFract="0.50140877"
                           z3="6.30931"
                           zFract="0.28394734"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15607"
                           xFract="0.49242536"
                           y3="6.32147"
                           yFract="0.74898934"
                           z3="8.44269"
                           zFract="0.37995905"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09347"
                           xFract="0.24804147"
                           y3="4.19275"
                           yFract="0.49677133"
                           z3="8.4023"
                           zFract="0.37814131"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12194"
                           xFract="0.25141469"
                           y3="4.24626"
                           yFract="0.50311137"
                           z3="4.2304"
                           zFract="0.19038704"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33024"
                           xFract="0.75002844"
                           y3="4.14847"
                           yFract="0.49152488"
                           z3="8.40388"
                           zFract="0.37821242"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19914"
                           xFract="0.49752844"
                           y3="2.10193"
                           yFract="0.24904384"
                           z3="8.39125"
                           zFract="0.37764401"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20321"
                           xFract="0.49801066"
                           y3="6.34387"
                           yFract="0.75164336"
                           z3="4.24864"
                           zFract="0.19120792"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00185"
                           xFract="-0.00021919"
                           y3="0.02146"
                           yFract="0.00254265"
                           z3="6.31012"
                           zFract="0.2839838"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35268"
                           xFract="0.7526872"
                           y3="0.02786"
                           yFract="0.00330095"
                           z3="4.27397"
                           zFract="0.19234788"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11062"
                           xFract="0.25007346"
                           y3="-0.03259"
                           yFract="-0.00386137"
                           z3="4.2356"
                           zFract="0.19062106"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01565"
                           xFract="0.00185427"
                           y3="6.35285"
                           yFract="0.75270735"
                           z3="4.17988"
                           zFract="0.18811341"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31601"
                           xFract="0.74834242"
                           y3="2.05856"
                           yFract="0.24390521"
                           z3="6.34326"
                           zFract="0.28547525"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.13087"
                           xFract="0.01550592"
                           y3="6.33915"
                           yFract="0.75108412"
                           z3="8.36174"
                           zFract="0.37631593"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.29881"
                           xFract="0.7463045"
                           y3="4.23457"
                           yFract="0.5017263"
                           z3="4.23581"
                           zFract="0.19063051"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2183"
                           xFract="0.49979858"
                           y3="2.07783"
                           yFract="0.24618839"
                           z3="4.22354"
                           zFract="0.19007831"/>
                     <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="0.06346"
                           xFract="0.00751896"
                           y3="2.10776"
                           yFract="0.2497346"
                           z3="6.34337"
                           zFract="0.2854802"/>
                     <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="2.23849"
                           xFract="0.26522393"
                           y3="-0.03573"
                           yFract="-0.00423341"
                           z3="6.41479"
                           zFract="0.28869442"/>
                     <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="0.06073"
                           xFract="0.0071955"
                           y3="0.21216"
                           yFract="0.02513744"
                           z3="4.21343"
                           zFract="0.18962331"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03376"
                           xFract="-0.0040"
                           y3="-0.07408"
                           yFract="-0.00877725"
                           z3="8.5631"
                           zFract="0.38537804"/>
                     <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="1.98318"
                           xFract="0.23497393"
                           y3="2.18787"
                           yFract="0.2592263"
                           z3="4.20378"
                           zFract="0.18918902"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08205"
                           xFract="0.24668839"
                           y3="2.10308"
                           yFract="0.24918009"
                           z3="8.47004"
                           zFract="0.38118992"/>
                     <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="4.1470"
                           xFract="0.49135071"
                           y3="2.09237"
                           yFract="0.24791114"
                           z3="6.36214"
                           zFract="0.28632493"/>
                     <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="6.16705"
                           xFract="0.73069313"
                           y3="-0.16369"
                           yFract="-0.01939455"
                           z3="6.43142"
                           zFract="0.28944284"/>
                     <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="4.18356"
                           xFract="0.49568246"
                           y3="0.04858"
                           yFract="0.00575592"
                           z3="4.32595"
                           zFract="0.19468722"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23048"
                           xFract="0.50124171"
                           y3="0.00209"
                           yFract="0.00024763"
                           z3="8.54226"
                           zFract="0.38444014"/>
                     <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="6.51378"
                           xFract="0.77177488"
                           y3="2.12642"
                           yFract="0.2519455"
                           z3="4.28705"
                           zFract="0.19293654"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34381"
                           xFract="0.75163626"
                           y3="2.10511"
                           yFract="0.24942062"
                           z3="8.46122"
                           zFract="0.38079298"/>
                     <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="-0.03743"
                           xFract="-0.00443483"
                           y3="6.36327"
                           yFract="0.75394194"
                           z3="6.26441"
                           zFract="0.28192664"/>
                     <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="2.09426"
                           xFract="0.24813507"
                           y3="4.21696"
                           yFract="0.49963981"
                           z3="6.34817"
                           zFract="0.28569622"/>
                     <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="0.02266"
                           xFract="0.00268483"
                           y3="4.07908"
                           yFract="0.48330332"
                           z3="4.26749"
                           zFract="0.19205626"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03194"
                           xFract="-0.00378436"
                           y3="4.29484"
                           yFract="0.5088673"
                           z3="8.4333"
                           zFract="0.37953645"/>
                     <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="2.04202"
                           xFract="0.2419455"
                           y3="6.27287"
                           yFract="0.74323104"
                           z3="4.30153"
                           zFract="0.19358821"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15867"
                           xFract="0.25576659"
                           y3="6.3203"
                           yFract="0.74885071"
                           z3="8.55192"
                           zFract="0.38487489"/>
                     <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="4.26159"
                           xFract="0.50492773"
                           y3="6.30112"
                           yFract="0.7465782"
                           z3="6.41377"
                           zFract="0.28864851"/>
                     <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="6.32118"
                           xFract="0.74895498"
                           y3="4.36611"
                           yFract="0.51731161"
                           z3="6.38696"
                           zFract="0.28744194"/>
                     <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="4.19854"
                           xFract="0.49745735"
                           y3="4.12534"
                           yFract="0.48878436"
                           z3="4.29339"
                           zFract="0.19322187"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22717"
                           xFract="0.50084953"
                           y3="4.20044"
                           yFract="0.49768246"
                           z3="8.52633"
                           zFract="0.38372322"/>
                     <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="6.41229"
                           xFract="0.75975"
                           y3="6.3424"
                           yFract="0.75146919"
                           z3="4.19784"
                           zFract="0.18892169"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19924"
                           xFract="0.73450711"
                           y3="6.31776"
                           yFract="0.74854976"
                           z3="9.02511"
                           zFract="0.40617057"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38764"
                           xFract="0.75682938"
                           y3="6.33707"
                           yFract="0.75083768"
                           z3="10.0302"
                           zFract="0.45140414"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21693"
                           xFract="0.49963626"
                           y3="4.20302"
                           yFract="0.49798815"
                           z3="6.37171"
                           zFract="0.28675563"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31605"
                           xFract="0.74834716"
                           y3="6.34455"
                           yFract="0.75172393"
                           z3="6.23137"
                           zFract="0.28043969"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12054"
                           xFract="0.25124882"
                           y3="6.32352"
                           yFract="0.74923223"
                           z3="6.34651"
                           zFract="0.28562151"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03247"
                           xFract="0.00384716"
                           y3="2.14147"
                           yFract="0.25372867"
                           z3="4.23156"
                           zFract="0.19043924"/>
                     <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="-0.00353"
                           xFract="-0.00041825"
                           y3="2.09806"
                           yFract="0.24858531"
                           z3="8.40807"
                           zFract="0.37840099"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20593"
                           xFract="0.49833294"
                           y3="-0.03114"
                           yFract="-0.00368957"
                           z3="6.40541"
                           zFract="0.28827228"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08415"
                           xFract="0.2469372"
                           y3="0.00572"
                           yFract="0.00067773"
                           z3="8.45581"
                           zFract="0.3805495"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34907"
                           xFract="0.75225948"
                           y3="0.05795"
                           yFract="0.00686611"
                           z3="8.45228"
                           zFract="0.38039064"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09961"
                           xFract="0.24876896"
                           y3="2.06919"
                           yFract="0.24516469"
                           z3="6.32523"
                           zFract="0.28466382"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03332"
                           xFract="-0.00394787"
                           y3="4.23584"
                           yFract="0.50187678"
                           z3="6.3105"
                           zFract="0.2840009"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15024"
                           xFract="0.4917346"
                           y3="6.31808"
                           yFract="0.74858768"
                           z3="8.46173"
                           zFract="0.38081593"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0923"
                           xFract="0.24790284"
                           y3="4.19825"
                           yFract="0.49742299"
                           z3="8.40291"
                           zFract="0.37816877"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11994"
                           xFract="0.25117773"
                           y3="4.24276"
                           yFract="0.50269668"
                           z3="4.23164"
                           zFract="0.19044284"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3323"
                           xFract="0.75027251"
                           y3="4.15074"
                           yFract="0.49179384"
                           z3="8.4142"
                           zFract="0.37867687"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20025"
                           xFract="0.49765995"
                           y3="2.10081"
                           yFract="0.24891114"
                           z3="8.39118"
                           zFract="0.37764086"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20242"
                           xFract="0.49791706"
                           y3="6.34687"
                           yFract="0.75199882"
                           z3="4.25395"
                           zFract="0.19144689"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00484"
                           xFract="-0.00057346"
                           y3="0.01761"
                           yFract="0.00208649"
                           z3="6.31004"
                           zFract="0.2839802"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35714"
                           xFract="0.75321564"
                           y3="0.02818"
                           yFract="0.00333886"
                           z3="4.28161"
                           zFract="0.19269172"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11053"
                           xFract="0.2500628"
                           y3="-0.03276"
                           yFract="-0.00388152"
                           z3="4.23908"
                           zFract="0.19077768"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01759"
                           xFract="0.00208412"
                           y3="6.35521"
                           yFract="0.75298697"
                           z3="4.1814"
                           zFract="0.18818182"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31519"
                           xFract="0.74824526"
                           y3="2.06237"
                           yFract="0.24435664"
                           z3="6.34601"
                           zFract="0.28559901"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12313"
                           xFract="0.01458886"
                           y3="6.33873"
                           yFract="0.75103436"
                           z3="8.36602"
                           zFract="0.37650855"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30102"
                           xFract="0.74656635"
                           y3="4.23274"
                           yFract="0.50150948"
                           z3="4.24121"
                           zFract="0.19087354"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21877"
                           xFract="0.49985427"
                           y3="2.07574"
                           yFract="0.24594076"
                           z3="4.22186"
                           zFract="0.1900027"/>
                     <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="0.06177"
                           xFract="0.00731872"
                           y3="2.10615"
                           yFract="0.24954384"
                           z3="6.34377"
                           zFract="0.2854982"/>
                     <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="2.23674"
                           xFract="0.26501659"
                           y3="-0.03084"
                           yFract="-0.00365403"
                           z3="6.41772"
                           zFract="0.28882628"/>
                     <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="0.2056"
                           yFract="0.02436019"
                           z3="4.21582"
                           zFract="0.18973087"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03635"
                           xFract="-0.00430687"
                           y3="-0.07502"
                           yFract="-0.00888863"
                           z3="8.55985"
                           zFract="0.38523177"/>
                     <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="1.99111"
                           xFract="0.23591351"
                           y3="2.18769"
                           yFract="0.25920498"
                           z3="4.21379"
                           zFract="0.18963951"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08269"
                           xFract="0.24676422"
                           y3="2.10539"
                           yFract="0.24945379"
                           z3="8.47822"
                           zFract="0.38155806"/>
                     <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="4.14716"
                           xFract="0.49136967"
                           y3="2.08892"
                           yFract="0.24750237"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <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="6.16731"
                           xFract="0.73072393"
                           y3="-0.16626"
                           yFract="-0.01969905"
                           z3="6.43927"
                           zFract="0.28979613"/>
                     <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="4.18427"
                           xFract="0.49576659"
                           y3="0.03973"
                           yFract="0.00470735"
                           z3="4.32809"
                           zFract="0.19478353"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22995"
                           xFract="0.50117891"
                           y3="-0.00064"
                           yFract="-0.00007583"
                           z3="8.54828"
                           zFract="0.38471107"/>
                     <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="6.50448"
                           xFract="0.77067299"
                           y3="2.12057"
                           yFract="0.25125237"
                           z3="4.28798"
                           zFract="0.1929784"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34733"
                           xFract="0.75205332"
                           y3="2.10675"
                           yFract="0.24961493"
                           z3="8.46491"
                           zFract="0.38095905"/>
                     <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="-0.03458"
                           xFract="-0.00409716"
                           y3="6.36565"
                           yFract="0.75422393"
                           z3="6.26454"
                           zFract="0.28193249"/>
                     <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="2.09314"
                           xFract="0.24800237"
                           y3="4.21007"
                           yFract="0.49882346"
                           z3="6.34693"
                           zFract="0.28564041"/>
                     <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="0.02109"
                           xFract="0.00249882"
                           y3="4.08433"
                           yFract="0.48392536"
                           z3="4.26913"
                           zFract="0.19213006"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03393"
                           xFract="-0.00402014"
                           y3="4.2954"
                           yFract="0.50893365"
                           z3="8.43765"
                           zFract="0.37973222"/>
                     <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="2.04118"
                           xFract="0.24184597"
                           y3="6.27318"
                           yFract="0.74326777"
                           z3="4.30397"
                           zFract="0.19369802"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15674"
                           xFract="0.25553791"
                           y3="6.31774"
                           yFract="0.74854739"
                           z3="8.55287"
                           zFract="0.38491764"/>
                     <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="4.25972"
                           xFract="0.50470616"
                           y3="6.29792"
                           yFract="0.74619905"
                           z3="6.42431"
                           zFract="0.28912286"/>
                     <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="6.3217"
                           xFract="0.74901659"
                           y3="4.36827"
                           yFract="0.51756754"
                           z3="6.38878"
                           zFract="0.28752385"/>
                     <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="4.19798"
                           xFract="0.497391"
                           y3="4.1318"
                           yFract="0.48954976"
                           z3="4.29072"
                           zFract="0.19310171"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2289"
                           xFract="0.5010545"
                           y3="4.20022"
                           yFract="0.4976564"
                           z3="8.53023"
                           zFract="0.38389874"/>
                     <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="6.41868"
                           xFract="0.76050711"
                           y3="6.3463"
                           yFract="0.75193128"
                           z3="4.20176"
                           zFract="0.18909811"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20359"
                           xFract="0.73502251"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="9.06316"
                           zFract="0.40788299"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3854"
                           xFract="0.75656398"
                           y3="6.33606"
                           yFract="0.75071801"
                           z3="10.02595"
                           zFract="0.45121287"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21671"
                           xFract="0.49961019"
                           y3="4.20289"
                           yFract="0.49797275"
                           z3="6.37256"
                           zFract="0.28679388"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3159"
                           xFract="0.74832938"
                           y3="6.34461"
                           yFract="0.75173104"
                           z3="6.23285"
                           zFract="0.2805063"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12071"
                           xFract="0.25126896"
                           y3="6.32365"
                           yFract="0.74924763"
                           z3="6.34733"
                           zFract="0.28565842"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03246"
                           xFract="0.00384597"
                           y3="2.14075"
                           yFract="0.25364336"
                           z3="4.23172"
                           zFract="0.19044644"/>
                     <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="-0.00371"
                           xFract="-0.00043957"
                           y3="2.09767"
                           yFract="0.2485391"
                           z3="8.40835"
                           zFract="0.37841359"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20706"
                           xFract="0.49846682"
                           y3="-0.03051"
                           yFract="-0.00361493"
                           z3="6.40627"
                           zFract="0.28831098"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08333"
                           xFract="0.24684005"
                           y3="0.00591"
                           yFract="0.00070024"
                           z3="8.45601"
                           zFract="0.38055851"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34852"
                           xFract="0.75219431"
                           y3="0.05894"
                           yFract="0.00698341"
                           z3="8.4511"
                           zFract="0.38033753"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09931"
                           xFract="0.24873341"
                           y3="2.06963"
                           yFract="0.24521682"
                           z3="6.32423"
                           zFract="0.28461881"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03277"
                           xFract="-0.0038827"
                           y3="4.23546"
                           yFract="0.50183175"
                           z3="6.31192"
                           zFract="0.28406481"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15152"
                           xFract="0.49188626"
                           y3="6.3174"
                           yFract="0.74850711"
                           z3="8.46195"
                           zFract="0.38082583"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09261"
                           xFract="0.24793957"
                           y3="4.19787"
                           yFract="0.49737796"
                           z3="8.40301"
                           zFract="0.37817327"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12009"
                           xFract="0.2511955"
                           y3="4.24229"
                           yFract="0.502641"
                           z3="4.23202"
                           zFract="0.19045995"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33161"
                           xFract="0.75019076"
                           y3="4.1500"
                           yFract="0.49170616"
                           z3="8.4138"
                           zFract="0.37865887"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20104"
                           xFract="0.49775355"
                           y3="2.10121"
                           yFract="0.24895853"
                           z3="8.39271"
                           zFract="0.37770972"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20266"
                           xFract="0.4979455"
                           y3="6.34639"
                           yFract="0.75194194"
                           z3="4.25463"
                           zFract="0.1914775"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00568"
                           xFract="-0.00067299"
                           y3="0.01814"
                           yFract="0.00214929"
                           z3="6.31106"
                           zFract="0.2840261"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35742"
                           xFract="0.75324882"
                           y3="0.02778"
                           yFract="0.00329147"
                           z3="4.28204"
                           zFract="0.19271107"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11066"
                           xFract="0.2500782"
                           y3="-0.03139"
                           yFract="-0.00371919"
                           z3="4.23928"
                           zFract="0.19078668"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01793"
                           xFract="0.00212441"
                           y3="6.35508"
                           yFract="0.75297156"
                           z3="4.1812"
                           zFract="0.18817282"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31556"
                           xFract="0.7482891"
                           y3="2.06255"
                           yFract="0.24437796"
                           z3="6.34696"
                           zFract="0.28564176"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12306"
                           xFract="0.01458057"
                           y3="6.33926"
                           yFract="0.75109716"
                           z3="8.36747"
                           zFract="0.37657381"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30137"
                           xFract="0.74660782"
                           y3="4.23263"
                           yFract="0.50149645"
                           z3="4.24011"
                           zFract="0.19082403"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21826"
                           xFract="0.49979384"
                           y3="2.07545"
                           yFract="0.2459064"
                           z3="4.22337"
                           zFract="0.19007066"/>
                     <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="0.06168"
                           xFract="0.00730806"
                           y3="2.1074"
                           yFract="0.24969194"
                           z3="6.34358"
                           zFract="0.28548965"/>
                     <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="2.23711"
                           xFract="0.26506043"
                           y3="-0.03193"
                           yFract="-0.00378318"
                           z3="6.41818"
                           zFract="0.28884698"/>
                     <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="0.06336"
                           xFract="0.00750711"
                           y3="0.20381"
                           yFract="0.0241481"
                           z3="4.21563"
                           zFract="0.18972232"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03579"
                           xFract="-0.00424052"
                           y3="-0.07446"
                           yFract="-0.00882227"
                           z3="8.56068"
                           zFract="0.38526913"/>
                     <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="1.99066"
                           xFract="0.23586019"
                           y3="2.18726"
                           yFract="0.25915403"
                           z3="4.21294"
                           zFract="0.18960126"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08296"
                           xFract="0.24679621"
                           y3="2.10488"
                           yFract="0.24939336"
                           z3="8.47848"
                           zFract="0.38156976"/>
                     <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="4.14688"
                           xFract="0.49133649"
                           y3="2.08888"
                           yFract="0.24749763"
                           z3="6.36209"
                           zFract="0.28632268"/>
                     <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="6.16713"
                           xFract="0.73070261"
                           y3="-0.1675"
                           yFract="-0.01984597"
                           z3="6.44061"
                           zFract="0.28985644"/>
                     <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="4.18483"
                           xFract="0.49583294"
                           y3="0.03791"
                           yFract="0.00449171"
                           z3="4.32851"
                           zFract="0.19480243"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22921"
                           xFract="0.50109123"
                           y3="-0.00036"
                           yFract="-0.00004265"
                           z3="8.55023"
                           zFract="0.38479883"/>
                     <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="6.50411"
                           xFract="0.77062915"
                           y3="2.12009"
                           yFract="0.2511955"
                           z3="4.28791"
                           zFract="0.19297525"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3472"
                           xFract="0.75203791"
                           y3="2.10632"
                           yFract="0.24956398"
                           z3="8.46812"
                           zFract="0.38110351"/>
                     <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="-0.03424"
                           xFract="-0.00405687"
                           y3="6.36384"
                           yFract="0.75400948"
                           z3="6.26614"
                           zFract="0.2820045"/>
                     <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="2.09321"
                           xFract="0.24801066"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="6.34827"
                           zFract="0.28570072"/>
                     <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="0.02128"
                           xFract="0.00252133"
                           y3="4.0844"
                           yFract="0.48393365"
                           z3="4.26872"
                           zFract="0.19211161"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03369"
                           xFract="-0.00399171"
                           y3="4.29409"
                           yFract="0.50877844"
                           z3="8.4379"
                           zFract="0.37974347"/>
                     <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="2.04176"
                           xFract="0.24191469"
                           y3="6.27243"
                           yFract="0.74317891"
                           z3="4.30448"
                           zFract="0.19372097"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15465"
                           xFract="0.25529028"
                           y3="6.31781"
                           yFract="0.74855569"
                           z3="8.55319"
                           zFract="0.38493204"/>
                     <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="4.25918"
                           xFract="0.50464218"
                           y3="6.29831"
                           yFract="0.74624526"
                           z3="6.42638"
                           zFract="0.28921602"/>
                     <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="6.32168"
                           xFract="0.74901422"
                           y3="4.36988"
                           yFract="0.51775829"
                           z3="6.39014"
                           zFract="0.28758506"/>
                     <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="4.19775"
                           xFract="0.49736374"
                           y3="4.13468"
                           yFract="0.489891"
                           z3="4.2915"
                           zFract="0.19313681"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22854"
                           xFract="0.50101185"
                           y3="4.19971"
                           yFract="0.49759597"
                           z3="8.53098"
                           zFract="0.38393249"/>
                     <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="6.41837"
                           xFract="0.76047038"
                           y3="6.34653"
                           yFract="0.75195853"
                           z3="4.20261"
                           zFract="0.18913636"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20464"
                           xFract="0.73514692"
                           y3="6.3172"
                           yFract="0.74848341"
                           z3="9.07256"
                           zFract="0.40830603"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38507"
                           xFract="0.75652488"
                           y3="6.33591"
                           yFract="0.75070024"
                           z3="10.02532"
                           zFract="0.45118452"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21668"
                           xFract="0.49960664"
                           y3="4.20287"
                           yFract="0.49797038"
                           z3="6.37269"
                           zFract="0.28679973"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31588"
                           xFract="0.74832701"
                           y3="6.34462"
                           yFract="0.75173223"
                           z3="6.23306"
                           zFract="0.28051575"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12074"
                           xFract="0.25127251"
                           y3="6.32367"
                           yFract="0.74925"
                           z3="6.34745"
                           zFract="0.28566382"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03246"
                           xFract="0.00384597"
                           y3="2.14064"
                           yFract="0.25363033"
                           z3="4.23175"
                           zFract="0.19044779"/>
                     <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="-0.00374"
                           xFract="-0.00044313"
                           y3="2.09761"
                           yFract="0.24853199"
                           z3="8.40839"
                           zFract="0.37841539"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20722"
                           xFract="0.49848578"
                           y3="-0.03042"
                           yFract="-0.00360427"
                           z3="6.4064"
                           zFract="0.28831683"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08321"
                           xFract="0.24682583"
                           y3="0.00594"
                           yFract="0.00070379"
                           z3="8.45604"
                           zFract="0.38055986"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34844"
                           xFract="0.75218483"
                           y3="0.05908"
                           yFract="0.0070"
                           z3="8.45093"
                           zFract="0.38032988"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09927"
                           xFract="0.24872867"
                           y3="2.0697"
                           yFract="0.24522512"
                           z3="6.32408"
                           zFract="0.28461206"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03269"
                           xFract="-0.00387322"
                           y3="4.2354"
                           yFract="0.50182464"
                           z3="6.31213"
                           zFract="0.28407426"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15171"
                           xFract="0.49190877"
                           y3="6.3173"
                           yFract="0.74849526"
                           z3="8.46198"
                           zFract="0.38082718"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="4.19782"
                           yFract="0.49737204"
                           z3="8.40303"
                           zFract="0.37817417"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12011"
                           xFract="0.25119787"
                           y3="4.24222"
                           yFract="0.5026327"
                           z3="4.23208"
                           zFract="0.19046265"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.33151"
                           xFract="0.75017891"
                           y3="4.14989"
                           yFract="0.49169313"
                           z3="8.41375"
                           zFract="0.37865662"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20116"
                           xFract="0.49776777"
                           y3="2.10127"
                           yFract="0.24896564"
                           z3="8.39294"
                           zFract="0.37772007"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2027"
                           xFract="0.49795024"
                           y3="6.34631"
                           yFract="0.75193246"
                           z3="4.25474"
                           zFract="0.19148245"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00581"
                           xFract="-0.00068839"
                           y3="0.01822"
                           yFract="0.00215877"
                           z3="6.31121"
                           zFract="0.28403285"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35747"
                           xFract="0.75325474"
                           y3="0.02772"
                           yFract="0.00328436"
                           z3="4.2821"
                           zFract="0.19271377"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11068"
                           xFract="0.25008057"
                           y3="-0.03119"
                           yFract="-0.0036955"
                           z3="4.23931"
                           zFract="0.19078803"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01798"
                           xFract="0.00213033"
                           y3="6.35506"
                           yFract="0.75296919"
                           z3="4.18117"
                           zFract="0.18817147"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31562"
                           xFract="0.74829621"
                           y3="2.06258"
                           yFract="0.24438152"
                           z3="6.3471"
                           zFract="0.28564806"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12304"
                           xFract="0.0145782"
                           y3="6.33934"
                           yFract="0.75110664"
                           z3="8.36769"
                           zFract="0.37658371"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30143"
                           xFract="0.74661493"
                           y3="4.23261"
                           yFract="0.50149408"
                           z3="4.23995"
                           zFract="0.19081683"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21818"
                           xFract="0.49978436"
                           y3="2.07541"
                           yFract="0.24590166"
                           z3="4.2236"
                           zFract="0.19008101"/>
                     <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="0.06167"
                           xFract="0.00730687"
                           y3="2.10759"
                           yFract="0.24971445"
                           z3="6.34355"
                           zFract="0.2854883"/>
                     <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="2.23717"
                           xFract="0.26506754"
                           y3="-0.03209"
                           yFract="-0.00380213"
                           z3="6.41825"
                           zFract="0.28885014"/>
                     <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="0.06326"
                           xFract="0.00749526"
                           y3="0.20355"
                           yFract="0.0241173"
                           z3="4.2156"
                           zFract="0.18972097"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03571"
                           xFract="-0.00423104"
                           y3="-0.07438"
                           yFract="-0.0088128"
                           z3="8.56081"
                           zFract="0.38527498"/>
                     <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="1.9906"
                           xFract="0.23585308"
                           y3="2.18719"
                           yFract="0.25914573"
                           z3="4.21281"
                           zFract="0.18959541"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0830"
                           xFract="0.24680095"
                           y3="2.10481"
                           yFract="0.24938507"
                           z3="8.47852"
                           zFract="0.38157156"/>
                     <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="4.14684"
                           xFract="0.49133175"
                           y3="2.08888"
                           yFract="0.24749763"
                           z3="6.36196"
                           zFract="0.28631683"/>
                     <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="6.1671"
                           xFract="0.73069905"
                           y3="-0.16768"
                           yFract="-0.0198673"
                           z3="6.4408"
                           zFract="0.28986499"/>
                     <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="4.18491"
                           xFract="0.49584242"
                           y3="0.03764"
                           yFract="0.00445972"
                           z3="4.32857"
                           zFract="0.19480513"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2291"
                           xFract="0.5010782"
                           y3="-0.00032"
                           yFract="-0.00003791"
                           z3="8.55051"
                           zFract="0.38481143"/>
                     <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="6.50405"
                           xFract="0.77062204"
                           y3="2.12002"
                           yFract="0.2511872"
                           z3="4.2879"
                           zFract="0.1929748"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34718"
                           xFract="0.75203555"
                           y3="2.10625"
                           yFract="0.24955569"
                           z3="8.46859"
                           zFract="0.38112466"/>
                     <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="-0.03419"
                           xFract="-0.00405095"
                           y3="6.36357"
                           yFract="0.75397749"
                           z3="6.26637"
                           zFract="0.28201485"/>
                     <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="2.09322"
                           xFract="0.24801185"
                           y3="4.21134"
                           yFract="0.49897393"
                           z3="6.34847"
                           zFract="0.28570972"/>
                     <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="0.02131"
                           xFract="0.00252488"
                           y3="4.08441"
                           yFract="0.48393483"
                           z3="4.26866"
                           zFract="0.19210891"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03365"
                           xFract="-0.00398697"
                           y3="4.2939"
                           yFract="0.50875592"
                           z3="8.43793"
                           zFract="0.37974482"/>
                     <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="2.04185"
                           xFract="0.24192536"
                           y3="6.27232"
                           yFract="0.74316588"
                           z3="4.30456"
                           zFract="0.19372457"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15434"
                           xFract="0.25525355"
                           y3="6.31782"
                           yFract="0.74855687"
                           z3="8.55324"
                           zFract="0.38493429"/>
                     <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="4.2591"
                           xFract="0.5046327"
                           y3="6.29836"
                           yFract="0.74625118"
                           z3="6.42669"
                           zFract="0.28922997"/>
                     <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="6.32168"
                           xFract="0.74901422"
                           y3="4.37011"
                           yFract="0.51778555"
                           z3="6.39034"
                           zFract="0.28759406"/>
                     <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="4.19772"
                           xFract="0.49736019"
                           y3="4.1351"
                           yFract="0.48994076"
                           z3="4.29162"
                           zFract="0.19314221"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22849"
                           xFract="0.50100592"
                           y3="4.19963"
                           yFract="0.49758649"
                           z3="8.53109"
                           zFract="0.38393744"/>
                     <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="6.41832"
                           xFract="0.76046445"
                           y3="6.34656"
                           yFract="0.75196209"
                           z3="4.20274"
                           zFract="0.18914221"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2048"
                           xFract="0.73516588"
                           y3="6.31726"
                           yFract="0.74849052"
                           z3="9.07395"
                           zFract="0.40836859"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38403"
                           xFract="0.75640166"
                           y3="6.33484"
                           yFract="0.75057346"
                           z3="10.02822"
                           zFract="0.45131503"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21632"
                           xFract="0.49956398"
                           y3="4.20266"
                           yFract="0.4979455"
                           z3="6.37376"
                           zFract="0.28684788"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31578"
                           xFract="0.74831517"
                           y3="6.34447"
                           yFract="0.75171445"
                           z3="6.23472"
                           zFract="0.28059046"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12093"
                           xFract="0.25129502"
                           y3="6.32381"
                           yFract="0.74926659"
                           z3="6.34836"
                           zFract="0.28570477"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03238"
                           xFract="0.00383649"
                           y3="2.13969"
                           yFract="0.25351777"
                           z3="4.23177"
                           zFract="0.19044869"/>
                     <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="-0.00381"
                           xFract="-0.00045142"
                           y3="2.09723"
                           yFract="0.24848697"
                           z3="8.40878"
                           zFract="0.37843294"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2084"
                           xFract="0.49862559"
                           y3="-0.02953"
                           yFract="-0.00349882"
                           z3="6.4074"
                           zFract="0.28836184"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.08225"
                           xFract="0.24671209"
                           y3="0.00648"
                           yFract="0.00076777"
                           z3="8.45627"
                           zFract="0.38057021"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34789"
                           xFract="0.75211967"
                           y3="0.06051"
                           yFract="0.00716943"
                           z3="8.4492"
                           zFract="0.38025203"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09886"
                           xFract="0.24868009"
                           y3="2.07018"
                           yFract="0.24528199"
                           z3="6.32269"
                           zFract="0.2845495"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03187"
                           xFract="-0.00377607"
                           y3="4.23485"
                           yFract="0.50175948"
                           z3="6.31388"
                           zFract="0.28415302"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15342"
                           xFract="0.49211137"
                           y3="6.31663"
                           yFract="0.74841588"
                           z3="8.46191"
                           zFract="0.38082403"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09299"
                           xFract="0.2479846"
                           y3="4.19712"
                           yFract="0.4972891"
                           z3="8.40327"
                           zFract="0.37818497"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12034"
                           xFract="0.25122512"
                           y3="4.24183"
                           yFract="0.50258649"
                           z3="4.23253"
                           zFract="0.1904829"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3307"
                           xFract="0.75008294"
                           y3="4.14888"
                           yFract="0.49157346"
                           z3="8.41312"
                           zFract="0.37862826"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20202"
                           xFract="0.49786967"
                           y3="2.10177"
                           yFract="0.24902488"
                           z3="8.39493"
                           zFract="0.37780963"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20302"
                           xFract="0.49798815"
                           y3="6.34558"
                           yFract="0.75184597"
                           z3="4.25548"
                           zFract="0.19151575"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00677"
                           xFract="-0.00080213"
                           y3="0.01893"
                           yFract="0.00224289"
                           z3="6.31255"
                           zFract="0.28409316"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35767"
                           xFract="0.75327844"
                           y3="0.02717"
                           yFract="0.00321919"
                           z3="4.28234"
                           zFract="0.19272457"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11085"
                           xFract="0.25010071"
                           y3="-0.02955"
                           yFract="-0.00350118"
                           z3="4.23946"
                           zFract="0.19079478"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01838"
                           xFract="0.00217773"
                           y3="6.35479"
                           yFract="0.7529372"
                           z3="4.1810"
                           zFract="0.18816382"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31614"
                           xFract="0.74835782"
                           y3="2.06275"
                           yFract="0.24440166"
                           z3="6.34827"
                           zFract="0.28570072"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12308"
                           xFract="0.01458294"
                           y3="6.33991"
                           yFract="0.75117417"
                           z3="8.36954"
                           zFract="0.37666697"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30185"
                           xFract="0.74666469"
                           y3="4.23252"
                           yFract="0.50148341"
                           z3="4.23846"
                           zFract="0.19074977"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21756"
                           xFract="0.4997109"
                           y3="2.07516"
                           yFract="0.24587204"
                           z3="4.22553"
                           zFract="0.19016787"/>
                     <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="0.06163"
                           xFract="0.00730213"
                           y3="2.10922"
                           yFract="0.24990758"
                           z3="6.34332"
                           zFract="0.28547795"/>
                     <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="2.23788"
                           xFract="0.26515166"
                           y3="-0.03355"
                           yFract="-0.00397512"
                           z3="6.41865"
                           zFract="0.28886814"/>
                     <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="0.06232"
                           xFract="0.00738389"
                           y3="0.20142"
                           yFract="0.02386493"
                           z3="4.21533"
                           zFract="0.18970882"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03503"
                           xFract="-0.00415047"
                           y3="-0.07353"
                           yFract="-0.00871209"
                           z3="8.56192"
                           zFract="0.38532493"/>
                     <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="1.98993"
                           xFract="0.2357737"
                           y3="2.18668"
                           yFract="0.25908531"
                           z3="4.21148"
                           zFract="0.18953555"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08333"
                           xFract="0.24684005"
                           y3="2.10414"
                           yFract="0.24930569"
                           z3="8.47849"
                           zFract="0.38157021"/>
                     <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="4.14647"
                           xFract="0.49128791"
                           y3="2.08892"
                           yFract="0.24750237"
                           z3="6.36082"
                           zFract="0.28626553"/>
                     <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="6.16683"
                           xFract="0.73066706"
                           y3="-0.16915"
                           yFract="-0.02004147"
                           z3="6.44231"
                           zFract="0.28993294"/>
                     <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="4.18562"
                           xFract="0.49592654"
                           y3="0.03556"
                           yFract="0.00421327"
                           z3="4.32913"
                           zFract="0.19483033"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2282"
                           xFract="0.50097156"
                           y3="0.00011"
                           yFract="0.00001303"
                           z3="8.55276"
                           zFract="0.38491269"/>
                     <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="6.50379"
                           xFract="0.77059123"
                           y3="2.1196"
                           yFract="0.25113744"
                           z3="4.28778"
                           zFract="0.1929694"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34683"
                           xFract="0.75199408"
                           y3="2.1057"
                           yFract="0.24949052"
                           z3="8.4727"
                           zFract="0.38130963"/>
                     <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="-0.03384"
                           xFract="-0.00400948"
                           y3="6.36119"
                           yFract="0.7536955"
                           z3="6.26843"
                           zFract="0.28210756"/>
                     <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="2.09342"
                           xFract="0.24803555"
                           y3="4.21286"
                           yFract="0.49915403"
                           z3="6.35011"
                           zFract="0.28578353"/>
                     <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="0.0216"
                           xFract="0.00255924"
                           y3="4.08435"
                           yFract="0.48392773"
                           z3="4.26816"
                           zFract="0.19208641"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03336"
                           xFract="-0.00395261"
                           y3="4.29211"
                           yFract="0.50854384"
                           z3="8.4382"
                           zFract="0.37975698"/>
                     <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="2.04261"
                           xFract="0.2420154"
                           y3="6.27143"
                           yFract="0.74306043"
                           z3="4.30514"
                           zFract="0.19375068"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15209"
                           xFract="0.25498697"
                           y3="6.31795"
                           yFract="0.74857227"
                           z3="8.55368"
                           zFract="0.3849541"/>
                     <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="4.25846"
                           xFract="0.50455687"
                           y3="6.29899"
                           yFract="0.74632583"
                           z3="6.4291"
                           zFract="0.28933843"/>
                     <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="6.32157"
                           xFract="0.74900118"
                           y3="4.37208"
                           yFract="0.51801896"
                           z3="6.39198"
                           zFract="0.28766787"/>
                     <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="4.19746"
                           xFract="0.49732938"
                           y3="4.13859"
                           yFract="0.49035427"
                           z3="4.29273"
                           zFract="0.19319217"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22801"
                           xFract="0.50094905"
                           y3="4.19903"
                           yFract="0.4975154"
                           z3="8.53196"
                           zFract="0.3839766"/>
                     <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="6.41776"
                           xFract="0.7603981"
                           y3="6.34669"
                           yFract="0.75197749"
                           z3="4.20373"
                           zFract="0.18918677"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2040"
                           xFract="0.73507109"
                           y3="6.3176"
                           yFract="0.74853081"
                           z3="9.07528"
                           zFract="0.40842844"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a55" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.38092"
                           xFract="0.75603318"
                           y3="6.33165"
                           yFract="0.7501955"
                           z3="10.03692"
                           zFract="0.45170657"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21523"
                           xFract="0.49943483"
                           y3="4.20205"
                           yFract="0.49787322"
                           z3="6.37697"
                           zFract="0.28699235"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31547"
                           xFract="0.74827844"
                           y3="6.34401"
                           yFract="0.75165995"
                           z3="6.2397"
                           zFract="0.28081458"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12149"
                           xFract="0.25136137"
                           y3="6.32425"
                           yFract="0.74931872"
                           z3="6.35108"
                           zFract="0.28582718"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03213"
                           xFract="0.00380687"
                           y3="2.13684"
                           yFract="0.25318009"
                           z3="4.23184"
                           zFract="0.19045185"/>
                     <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="-0.00402"
                           xFract="-0.0004763"
                           y3="2.0961"
                           yFract="0.24835308"
                           z3="8.40996"
                           zFract="0.37848605"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21195"
                           xFract="0.49904621"
                           y3="-0.02685"
                           yFract="-0.00318128"
                           z3="6.41038"
                           zFract="0.28849595"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07936"
                           xFract="0.24636967"
                           y3="0.00811"
                           yFract="0.0009609"
                           z3="8.45695"
                           zFract="0.38060081"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34624"
                           xFract="0.75192417"
                           y3="0.06479"
                           yFract="0.00767654"
                           z3="8.44403"
                           zFract="0.38001935"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09763"
                           xFract="0.24853436"
                           y3="2.07162"
                           yFract="0.24545261"
                           z3="6.31852"
                           zFract="0.28436184"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02942"
                           xFract="-0.00348578"
                           y3="4.2332"
                           yFract="0.50156398"
                           z3="6.31911"
                           zFract="0.28438839"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15853"
                           xFract="0.49271682"
                           y3="6.31461"
                           yFract="0.74817654"
                           z3="8.46172"
                           zFract="0.38081548"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09399"
                           xFract="0.24810308"
                           y3="4.19502"
                           yFract="0.49704028"
                           z3="8.40402"
                           zFract="0.37821872"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12103"
                           xFract="0.25130687"
                           y3="4.24064"
                           yFract="0.5024455"
                           z3="4.23387"
                           zFract="0.1905432"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32828"
                           xFract="0.74979621"
                           y3="4.14586"
                           yFract="0.49121564"
                           z3="8.41123"
                           zFract="0.3785432"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20459"
                           xFract="0.49817417"
                           y3="2.10326"
                           yFract="0.24920142"
                           z3="8.40092"
                           zFract="0.37807921"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2040"
                           xFract="0.49810427"
                           y3="6.34336"
                           yFract="0.75158294"
                           z3="4.25773"
                           zFract="0.19161701"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.00964"
                           xFract="-0.00114218"
                           y3="0.02106"
                           yFract="0.00249526"
                           z3="6.31655"
                           zFract="0.28427318"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3583"
                           xFract="0.75335308"
                           y3="0.02552"
                           yFract="0.0030237"
                           z3="4.28306"
                           zFract="0.19275698"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11136"
                           xFract="0.25016114"
                           y3="-0.02465"
                           yFract="-0.00292062"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0196"
                           xFract="0.00232227"
                           y3="6.35398"
                           yFract="0.75284123"
                           z3="4.18048"
                           zFract="0.18814041"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31771"
                           xFract="0.74854384"
                           y3="2.06325"
                           yFract="0.2444609"
                           z3="6.35178"
                           zFract="0.28585869"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12318"
                           xFract="0.01459479"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="8.37509"
                           zFract="0.37691674"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30313"
                           xFract="0.74681635"
                           y3="4.23225"
                           yFract="0.50145142"
                           z3="4.23401"
                           zFract="0.1905495"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21571"
                           xFract="0.49949171"
                           y3="2.07441"
                           yFract="0.24578318"
                           z3="4.23134"
                           zFract="0.19042934"/>
                     <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="0.06151"
                           xFract="0.00728791"
                           y3="2.11412"
                           yFract="0.25048815"
                           z3="6.34263"
                           zFract="0.28544689"/>
                     <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="2.24002"
                           xFract="0.26540521"
                           y3="-0.03792"
                           yFract="-0.00449289"
                           z3="6.41984"
                           zFract="0.28892169"/>
                     <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="0.0595"
                           xFract="0.00704976"
                           y3="0.19503"
                           yFract="0.02310782"
                           z3="4.21452"
                           zFract="0.18967237"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0330"
                           xFract="-0.00390995"
                           y3="-0.0710"
                           yFract="-0.00841232"
                           z3="8.56524"
                           zFract="0.38547435"/>
                     <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="1.98794"
                           xFract="0.23553791"
                           y3="2.18513"
                           yFract="0.25890166"
                           z3="4.2075"
                           zFract="0.18935644"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="8.47842"
                           zFract="0.38156706"/>
                     <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="4.14539"
                           xFract="0.49115995"
                           y3="2.08905"
                           yFract="0.24751777"
                           z3="6.3574"
                           zFract="0.28611161"/>
                     <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="6.16604"
                           xFract="0.73057346"
                           y3="-0.17357"
                           yFract="-0.02056517"
                           z3="6.44683"
                           zFract="0.29013636"/>
                     <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="4.18776"
                           xFract="0.49618009"
                           y3="0.02933"
                           yFract="0.00347512"
                           z3="4.33081"
                           zFract="0.19490594"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22551"
                           xFract="0.50065284"
                           y3="0.00138"
                           yFract="0.00016351"
                           z3="8.5595"
                           zFract="0.38521602"/>
                     <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="6.50299"
                           xFract="0.77049645"
                           y3="2.11833"
                           yFract="0.25098697"
                           z3="4.28742"
                           zFract="0.1929532"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34578"
                           xFract="0.75186967"
                           y3="2.10403"
                           yFract="0.24929265"
                           z3="8.48501"
                           zFract="0.38186364"/>
                     <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="-0.03276"
                           xFract="-0.00388152"
                           y3="6.35406"
                           yFract="0.75285071"
                           z3="6.27461"
                           zFract="0.28238569"/>
                     <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="2.09403"
                           xFract="0.24810782"
                           y3="4.21743"
                           yFract="0.4996955"
                           z3="6.35504"
                           zFract="0.2860054"/>
                     <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="0.02248"
                           xFract="0.00266351"
                           y3="4.08417"
                           yFract="0.4839064"
                           z3="4.26666"
                           zFract="0.1920189"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03248"
                           xFract="-0.00384834"
                           y3="4.28677"
                           yFract="0.50791114"
                           z3="8.43898"
                           zFract="0.37979208"/>
                     <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="2.04491"
                           xFract="0.24228791"
                           y3="6.26875"
                           yFract="0.74274289"
                           z3="4.30688"
                           zFract="0.19382898"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14533"
                           xFract="0.25418602"
                           y3="6.31835"
                           yFract="0.74861967"
                           z3="8.55498"
                           zFract="0.3850126"/>
                     <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="4.25654"
                           xFract="0.50432938"
                           y3="6.30085"
                           yFract="0.74654621"
                           z3="6.43633"
                           zFract="0.28966382"/>
                     <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="6.32124"
                           xFract="0.74896209"
                           y3="4.37796"
                           yFract="0.51871564"
                           z3="6.39687"
                           zFract="0.28788794"/>
                     <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="4.1967"
                           xFract="0.49723934"
                           y3="4.14906"
                           yFract="0.49159479"
                           z3="4.29605"
                           zFract="0.19334158"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22657"
                           xFract="0.50077844"
                           y3="4.19721"
                           yFract="0.49729976"
                           z3="8.53457"
                           zFract="0.38409406"/>
                     <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="6.41607"
                           xFract="0.76019787"
                           y3="6.34707"
                           yFract="0.75202251"
                           z3="4.2067"
                           zFract="0.18932043"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20162"
                           xFract="0.7347891"
                           y3="6.31863"
                           yFract="0.74865284"
                           z3="9.07927"
                           zFract="0.40860801"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37975"
                           xFract="0.75589455"
                           y3="6.33045"
                           yFract="0.75005332"
                           z3="10.04021"
                           zFract="0.45185464"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21482"
                           xFract="0.49938626"
                           y3="4.20181"
                           yFract="0.49784479"
                           z3="6.37818"
                           zFract="0.2870468"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31536"
                           xFract="0.7482654"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="6.24158"
                           zFract="0.28089919"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1217"
                           xFract="0.25138626"
                           y3="6.32442"
                           yFract="0.74933886"
                           z3="6.3521"
                           zFract="0.28587309"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03203"
                           xFract="0.00379502"
                           y3="2.13576"
                           yFract="0.25305213"
                           z3="4.23187"
                           zFract="0.1904532"/>
                     <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="-0.0041"
                           xFract="-0.00048578"
                           y3="2.09567"
                           yFract="0.24830213"
                           z3="8.41041"
                           zFract="0.3785063"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21329"
                           xFract="0.49920498"
                           y3="-0.02584"
                           yFract="-0.00306161"
                           z3="6.4115"
                           zFract="0.28854635"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07827"
                           xFract="0.24624052"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="8.45721"
                           zFract="0.38061251"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34562"
                           xFract="0.75185071"
                           y3="0.06641"
                           yFract="0.00786848"
                           z3="8.44208"
                           zFract="0.37993159"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09717"
                           xFract="0.24847986"
                           y3="2.07217"
                           yFract="0.24551777"
                           z3="6.31694"
                           zFract="0.28429073"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02849"
                           xFract="-0.00337559"
                           y3="4.23258"
                           yFract="0.50149052"
                           z3="6.32109"
                           zFract="0.2844775"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.16046"
                           xFract="0.4929455"
                           y3="6.31385"
                           yFract="0.74808649"
                           z3="8.46164"
                           zFract="0.38081188"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09437"
                           xFract="0.2481481"
                           y3="4.19423"
                           yFract="0.49694668"
                           z3="8.4043"
                           zFract="0.37823132"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12129"
                           xFract="0.25133768"
                           y3="4.2402"
                           yFract="0.50239336"
                           z3="4.23437"
                           zFract="0.19056571"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32736"
                           xFract="0.7496872"
                           y3="4.14472"
                           yFract="0.49108057"
                           z3="8.41051"
                           zFract="0.3785108"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20556"
                           xFract="0.4982891"
                           y3="2.10382"
                           yFract="0.24926777"
                           z3="8.40319"
                           zFract="0.37818137"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20437"
                           xFract="0.4981481"
                           y3="6.34253"
                           yFract="0.7514846"
                           z3="4.25858"
                           zFract="0.19165527"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01073"
                           xFract="-0.00127133"
                           y3="0.02186"
                           yFract="0.00259005"
                           z3="6.31806"
                           zFract="0.28434113"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35854"
                           xFract="0.75338152"
                           y3="0.0249"
                           yFract="0.00295024"
                           z3="4.28333"
                           zFract="0.19276913"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11155"
                           xFract="0.25018365"
                           y3="-0.02279"
                           yFract="-0.00270024"
                           z3="4.24008"
                           zFract="0.19082268"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02006"
                           xFract="0.00237678"
                           y3="6.35367"
                           yFract="0.7528045"
                           z3="4.18028"
                           zFract="0.18813141"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3183"
                           xFract="0.74861374"
                           y3="2.06345"
                           yFract="0.2444846"
                           z3="6.3531"
                           zFract="0.28591809"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12322"
                           xFract="0.01459953"
                           y3="6.34223"
                           yFract="0.75144905"
                           z3="8.37719"
                           zFract="0.37701125"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30361"
                           xFract="0.74687322"
                           y3="4.23215"
                           yFract="0.50143957"
                           z3="4.23232"
                           zFract="0.19047345"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21501"
                           xFract="0.49940877"
                           y3="2.07413"
                           yFract="0.24575"
                           z3="4.23353"
                           zFract="0.1905279"/>
                     <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="0.06146"
                           xFract="0.00728199"
                           y3="2.11598"
                           yFract="0.25070853"
                           z3="6.34237"
                           zFract="0.28543519"/>
                     <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="2.24083"
                           xFract="0.26550118"
                           y3="-0.03958"
                           yFract="-0.00468957"
                           z3="6.42029"
                           zFract="0.28894194"/>
                     <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="0.05843"
                           xFract="0.00692299"
                           y3="0.19261"
                           yFract="0.02282109"
                           z3="4.21421"
                           zFract="0.18965842"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03223"
                           xFract="-0.00381872"
                           y3="-0.07004"
                           yFract="-0.00829858"
                           z3="8.56649"
                           zFract="0.3855306"/>
                     <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="1.98718"
                           xFract="0.23544787"
                           y3="2.18455"
                           yFract="0.25883294"
                           z3="4.20599"
                           zFract="0.18928848"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08467"
                           xFract="0.24699882"
                           y3="2.10136"
                           yFract="0.2489763"
                           z3="8.47839"
                           zFract="0.38156571"/>
                     <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="4.14498"
                           xFract="0.49111137"
                           y3="2.0891"
                           yFract="0.2475237"
                           z3="6.35611"
                           zFract="0.28605356"/>
                     <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="6.16574"
                           xFract="0.73053791"
                           y3="-0.17524"
                           yFract="-0.02076303"
                           z3="6.44853"
                           zFract="0.29021287"/>
                     <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="4.18857"
                           xFract="0.49627607"
                           y3="0.02697"
                           yFract="0.0031955"
                           z3="4.33144"
                           zFract="0.19493429"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22449"
                           xFract="0.50053199"
                           y3="0.00186"
                           yFract="0.00022038"
                           z3="8.56205"
                           zFract="0.38533078"/>
                     <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="6.50269"
                           xFract="0.7704609"
                           y3="2.11786"
                           yFract="0.25093128"
                           z3="4.28728"
                           zFract="0.19294689"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34538"
                           xFract="0.75182227"
                           y3="2.10339"
                           yFract="0.24921682"
                           z3="8.48967"
                           zFract="0.38207336"/>
                     <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="-0.03235"
                           xFract="-0.00383294"
                           y3="6.35136"
                           yFract="0.75253081"
                           z3="6.27694"
                           zFract="0.28249055"/>
                     <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="2.09425"
                           xFract="0.24813389"
                           y3="4.21916"
                           yFract="0.49990047"
                           z3="6.3569"
                           zFract="0.28608911"/>
                     <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="0.02281"
                           xFract="0.00270261"
                           y3="4.0841"
                           yFract="0.4838981"
                           z3="4.2661"
                           zFract="0.1919937"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03214"
                           xFract="-0.00380806"
                           y3="4.28474"
                           yFract="0.50767062"
                           z3="8.43928"
                           zFract="0.37980558"/>
                     <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="2.04578"
                           xFract="0.242391"
                           y3="6.26774"
                           yFract="0.74262322"
                           z3="4.30754"
                           zFract="0.19385869"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14278"
                           xFract="0.25388389"
                           y3="6.31849"
                           yFract="0.74863626"
                           z3="8.55547"
                           zFract="0.38503465"/>
                     <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="4.25582"
                           xFract="0.50424408"
                           y3="6.30155"
                           yFract="0.74662915"
                           z3="6.43907"
                           zFract="0.28978713"/>
                     <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="6.32111"
                           xFract="0.74894668"
                           y3="4.38018"
                           yFract="0.51897867"
                           z3="6.39872"
                           zFract="0.2879712"/>
                     <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="4.19641"
                           xFract="0.49720498"
                           y3="4.15302"
                           yFract="0.49206398"
                           z3="4.2973"
                           zFract="0.19339784"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22603"
                           xFract="0.50071445"
                           y3="4.19653"
                           yFract="0.49721919"
                           z3="8.53555"
                           zFract="0.38413816"/>
                     <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="6.41543"
                           xFract="0.76012204"
                           y3="6.34722"
                           yFract="0.75204028"
                           z3="4.20783"
                           zFract="0.18937129"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20071"
                           xFract="0.73468128"
                           y3="6.31902"
                           yFract="0.74869905"
                           z3="9.08078"
                           zFract="0.40867597"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37801"
                           xFract="0.75568839"
                           y3="6.32934"
                           yFract="0.7499218"
                           z3="10.04226"
                           zFract="0.45194689"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21502"
                           xFract="0.49940995"
                           y3="4.2025"
                           yFract="0.49792654"
                           z3="6.37943"
                           zFract="0.28710306"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31591"
                           xFract="0.74833057"
                           y3="6.3431"
                           yFract="0.75155213"
                           z3="6.24298"
                           zFract="0.2809622"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12131"
                           xFract="0.25134005"
                           y3="6.32447"
                           yFract="0.74934479"
                           z3="6.35324"
                           zFract="0.28592439"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0303"
                           xFract="0.00359005"
                           y3="2.13542"
                           yFract="0.25301185"
                           z3="4.2312"
                           zFract="0.19042304"/>
                     <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="-0.0037"
                           xFract="-0.00043839"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="8.41161"
                           zFract="0.37856031"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21187"
                           xFract="0.49903673"
                           y3="-0.02615"
                           yFract="-0.00309834"
                           z3="6.41338"
                           zFract="0.28863096"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07845"
                           xFract="0.24626185"
                           y3="0.00929"
                           yFract="0.00110071"
                           z3="8.45787"
                           zFract="0.38064221"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34554"
                           xFract="0.75184123"
                           y3="0.06697"
                           yFract="0.00793483"
                           z3="8.44382"
                           zFract="0.3800099"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0969"
                           xFract="0.24844787"
                           y3="2.07171"
                           yFract="0.24546327"
                           z3="6.31722"
                           zFract="0.28430333"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02845"
                           xFract="-0.00337085"
                           y3="4.23282"
                           yFract="0.50151896"
                           z3="6.32208"
                           zFract="0.28452205"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15903"
                           xFract="0.49277607"
                           y3="6.31429"
                           yFract="0.74813863"
                           z3="8.46343"
                           zFract="0.38089244"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09396"
                           xFract="0.24809953"
                           y3="4.19352"
                           yFract="0.49686256"
                           z3="8.40594"
                           zFract="0.37830513"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12107"
                           xFract="0.25131161"
                           y3="4.24066"
                           yFract="0.50244787"
                           z3="4.23461"
                           zFract="0.19057651"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32786"
                           xFract="0.74974645"
                           y3="4.14384"
                           yFract="0.4909763"
                           z3="8.41166"
                           zFract="0.37856256"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20511"
                           xFract="0.49823578"
                           y3="2.10319"
                           yFract="0.24919313"
                           z3="8.4049"
                           zFract="0.37825833"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20458"
                           xFract="0.49817299"
                           y3="6.3418"
                           yFract="0.7513981"
                           z3="4.25988"
                           zFract="0.19171377"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01135"
                           xFract="-0.00134479"
                           y3="0.02145"
                           yFract="0.00254147"
                           z3="6.31934"
                           zFract="0.28439874"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35851"
                           xFract="0.75337796"
                           y3="0.02426"
                           yFract="0.00287441"
                           z3="4.28333"
                           zFract="0.19276913"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11175"
                           xFract="0.25020735"
                           y3="-0.02282"
                           yFract="-0.00270379"
                           z3="4.24049"
                           zFract="0.19084113"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02066"
                           xFract="0.00244787"
                           y3="6.35306"
                           yFract="0.75273223"
                           z3="4.18172"
                           zFract="0.18819622"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31891"
                           xFract="0.74868602"
                           y3="2.06404"
                           yFract="0.2445545"
                           z3="6.35442"
                           zFract="0.2859775"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.12206"
                           xFract="0.01446209"
                           y3="6.34146"
                           yFract="0.75135782"
                           z3="8.37947"
                           zFract="0.37711386"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30438"
                           xFract="0.74696445"
                           y3="4.23194"
                           yFract="0.50141469"
                           z3="4.23224"
                           zFract="0.19046985"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="2.07449"
                           yFract="0.24579265"
                           z3="4.23429"
                           zFract="0.19056211"/>
                     <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="0.0613"
                           xFract="0.00726303"
                           y3="2.11698"
                           yFract="0.25082701"
                           z3="6.34219"
                           zFract="0.28542709"/>
                     <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="2.24215"
                           xFract="0.26565758"
                           y3="-0.0398"
                           yFract="-0.00471564"
                           z3="6.41983"
                           zFract="0.28892124"/>
                     <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="0.05748"
                           xFract="0.00681043"
                           y3="0.19059"
                           yFract="0.02258175"
                           z3="4.2148"
                           zFract="0.18968497"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03279"
                           xFract="-0.00388507"
                           y3="-0.06828"
                           yFract="-0.00809005"
                           z3="8.56704"
                           zFract="0.38555536"/>
                     <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="1.98801"
                           xFract="0.23554621"
                           y3="2.18457"
                           yFract="0.25883531"
                           z3="4.20568"
                           zFract="0.18927453"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08503"
                           xFract="0.24704147"
                           y3="2.10123"
                           yFract="0.2489609"
                           z3="8.4773"
                           zFract="0.38151665"/>
                     <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="4.14506"
                           xFract="0.49112085"
                           y3="2.0893"
                           yFract="0.24754739"
                           z3="6.35618"
                           zFract="0.28605671"/>
                     <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="6.16623"
                           xFract="0.73059597"
                           y3="-0.17548"
                           yFract="-0.02079147"
                           z3="6.44946"
                           zFract="0.29025473"/>
                     <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="4.1896"
                           xFract="0.4963981"
                           y3="0.02522"
                           yFract="0.00298815"
                           z3="4.33231"
                           zFract="0.19497345"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22418"
                           xFract="0.50049526"
                           y3="0.00251"
                           yFract="0.00029739"
                           z3="8.56312"
                           zFract="0.38537894"/>
                     <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="6.50196"
                           xFract="0.77037441"
                           y3="2.11767"
                           yFract="0.25090877"
                           z3="4.28738"
                           zFract="0.1929514"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34419"
                           xFract="0.75168128"
                           y3="2.10372"
                           yFract="0.24925592"
                           z3="8.49328"
                           zFract="0.38223582"/>
                     <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="-0.03196"
                           xFract="-0.00378673"
                           y3="6.35022"
                           yFract="0.75239573"
                           z3="6.27879"
                           zFract="0.28257381"/>
                     <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="2.09504"
                           xFract="0.24822749"
                           y3="4.21916"
                           yFract="0.49990047"
                           z3="6.35692"
                           zFract="0.28609001"/>
                     <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="0.02298"
                           xFract="0.00272275"
                           y3="4.08374"
                           yFract="0.48385545"
                           z3="4.2667"
                           zFract="0.1920207"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03242"
                           xFract="-0.00384123"
                           y3="4.28275"
                           yFract="0.50743483"
                           z3="8.44025"
                           zFract="0.37984923"/>
                     <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="2.04648"
                           xFract="0.24247393"
                           y3="6.26792"
                           yFract="0.74264455"
                           z3="4.30799"
                           zFract="0.19387894"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14429"
                           xFract="0.2540628"
                           y3="6.31833"
                           yFract="0.7486173"
                           z3="8.55598"
                           zFract="0.38505761"/>
                     <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="4.25545"
                           xFract="0.50420024"
                           y3="6.30247"
                           yFract="0.74673815"
                           z3="6.44134"
                           zFract="0.28988929"/>
                     <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="6.32017"
                           xFract="0.74883531"
                           y3="4.38057"
                           yFract="0.51902488"
                           z3="6.3991"
                           zFract="0.2879883"/>
                     <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="4.19658"
                           xFract="0.49722512"
                           y3="4.15522"
                           yFract="0.49232464"
                           z3="4.29841"
                           zFract="0.19344779"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22563"
                           xFract="0.50066706"
                           y3="4.1959"
                           yFract="0.49714455"
                           z3="8.53647"
                           zFract="0.38417957"/>
                     <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="6.41496"
                           xFract="0.76006635"
                           y3="6.34703"
                           yFract="0.75201777"
                           z3="4.20914"
                           zFract="0.18943024"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20037"
                           xFract="0.734641"
                           y3="6.3189"
                           yFract="0.74868483"
                           z3="9.08171"
                           zFract="0.40871782"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3728"
                           xFract="0.75507109"
                           y3="6.3260"
                           yFract="0.74952607"
                           z3="10.04843"
                           zFract="0.45222457"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21564"
                           xFract="0.49948341"
                           y3="4.20456"
                           yFract="0.49817062"
                           z3="6.3832"
                           zFract="0.28727273"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31759"
                           xFract="0.74852962"
                           y3="6.34089"
                           yFract="0.75129028"
                           z3="6.24718"
                           zFract="0.28115122"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12014"
                           xFract="0.25120142"
                           y3="6.3246"
                           yFract="0.74936019"
                           z3="6.35663"
                           zFract="0.28607696"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0251"
                           xFract="0.00297393"
                           y3="2.13442"
                           yFract="0.25289336"
                           z3="4.22922"
                           zFract="0.19033393"/>
                     <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="-0.00249"
                           xFract="-0.00029502"
                           y3="2.09636"
                           yFract="0.24838389"
                           z3="8.41523"
                           zFract="0.37872322"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20763"
                           xFract="0.49853436"
                           y3="-0.02708"
                           yFract="-0.00320853"
                           z3="6.41902"
                           zFract="0.28888479"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07897"
                           xFract="0.24632346"
                           y3="0.01099"
                           yFract="0.00130213"
                           z3="8.45983"
                           zFract="0.38073042"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34531"
                           xFract="0.75181398"
                           y3="0.06867"
                           yFract="0.00813626"
                           z3="8.44903"
                           zFract="0.38024437"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0961"
                           xFract="0.24835308"
                           y3="2.07033"
                           yFract="0.24529976"
                           z3="6.31807"
                           zFract="0.28434158"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02834"
                           xFract="-0.00335782"
                           y3="4.23352"
                           yFract="0.5016019"
                           z3="6.32505"
                           zFract="0.28465572"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15476"
                           xFract="0.49227014"
                           y3="6.31561"
                           yFract="0.74829502"
                           z3="8.4688"
                           zFract="0.38113411"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09273"
                           xFract="0.24795379"
                           y3="4.1914"
                           yFract="0.49661137"
                           z3="8.41087"
                           zFract="0.378527"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12043"
                           xFract="0.25123578"
                           y3="4.24204"
                           yFract="0.50261137"
                           z3="4.23533"
                           zFract="0.19060891"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32937"
                           xFract="0.74992536"
                           y3="4.14121"
                           yFract="0.49066469"
                           z3="8.4151"
                           zFract="0.37871737"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20378"
                           xFract="0.4980782"
                           y3="2.10131"
                           yFract="0.24897038"
                           z3="8.41003"
                           zFract="0.3784892"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20523"
                           xFract="0.49825"
                           y3="6.33962"
                           yFract="0.75113981"
                           z3="4.26377"
                           zFract="0.19188884"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01322"
                           xFract="-0.00156635"
                           y3="0.02021"
                           yFract="0.00239455"
                           z3="6.32319"
                           zFract="0.28457201"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35844"
                           xFract="0.75336967"
                           y3="0.02233"
                           yFract="0.00264573"
                           z3="4.28331"
                           zFract="0.19276823"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11237"
                           xFract="0.25028081"
                           y3="-0.0229"
                           yFract="-0.00271327"
                           z3="4.24173"
                           zFract="0.19089694"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02249"
                           xFract="0.00266469"
                           y3="6.35123"
                           yFract="0.7525154"
                           z3="4.18604"
                           zFract="0.18839064"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32073"
                           xFract="0.74890166"
                           y3="2.06584"
                           yFract="0.24476777"
                           z3="6.35836"
                           zFract="0.28615482"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11857"
                           xFract="0.01404858"
                           y3="6.33914"
                           yFract="0.75108294"
                           z3="8.38631"
                           zFract="0.37742169"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30668"
                           xFract="0.74723697"
                           y3="4.23131"
                           yFract="0.50134005"
                           z3="4.23199"
                           zFract="0.1904586"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21644"
                           xFract="0.4995782"
                           y3="2.07555"
                           yFract="0.24591825"
                           z3="4.23655"
                           zFract="0.19066382"/>
                     <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="0.06081"
                           xFract="0.00720498"
                           y3="2.1200"
                           yFract="0.25118483"
                           z3="6.34163"
                           zFract="0.28540189"/>
                     <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="2.2461"
                           xFract="0.26612559"
                           y3="-0.04048"
                           yFract="-0.00479621"
                           z3="6.41846"
                           zFract="0.28885959"/>
                     <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="0.05462"
                           xFract="0.00647156"
                           y3="0.18454"
                           yFract="0.02186493"
                           z3="4.21655"
                           zFract="0.18976373"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03448"
                           xFract="-0.00408531"
                           y3="-0.06303"
                           yFract="-0.00746801"
                           z3="8.5687"
                           zFract="0.38563006"/>
                     <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="1.9905"
                           xFract="0.23584123"
                           y3="2.18465"
                           yFract="0.25884479"
                           z3="4.20473"
                           zFract="0.18923177"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08609"
                           xFract="0.24716706"
                           y3="2.10085"
                           yFract="0.24891588"
                           z3="8.47406"
                           zFract="0.38137084"/>
                     <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="4.1453"
                           xFract="0.49114929"
                           y3="2.08988"
                           yFract="0.24761611"
                           z3="6.35641"
                           zFract="0.28606706"/>
                     <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="6.16769"
                           xFract="0.73076896"
                           y3="-0.1762"
                           yFract="-0.02087678"
                           z3="6.45223"
                           zFract="0.29037939"/>
                     <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="4.19266"
                           xFract="0.49676066"
                           y3="0.01996"
                           yFract="0.00236493"
                           z3="4.33492"
                           zFract="0.19509091"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22326"
                           xFract="0.50038626"
                           y3="0.00449"
                           yFract="0.00053199"
                           z3="8.56633"
                           zFract="0.3855234"/>
                     <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="6.49977"
                           xFract="0.77011493"
                           y3="2.11709"
                           yFract="0.25084005"
                           z3="4.28769"
                           zFract="0.19296535"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34061"
                           xFract="0.75125711"
                           y3="2.10471"
                           yFract="0.24937322"
                           z3="8.50412"
                           zFract="0.38272367"/>
                     <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="-0.03078"
                           xFract="-0.00364692"
                           y3="6.3468"
                           yFract="0.75199052"
                           z3="6.28435"
                           zFract="0.28282403"/>
                     <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="2.09741"
                           xFract="0.24850829"
                           y3="4.21915"
                           yFract="0.49989929"
                           z3="6.35698"
                           zFract="0.28609271"/>
                     <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="0.02348"
                           xFract="0.00278199"
                           y3="4.08266"
                           yFract="0.48372749"
                           z3="4.26851"
                           zFract="0.19210216"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03324"
                           xFract="-0.00393839"
                           y3="4.27678"
                           yFract="0.50672749"
                           z3="8.44316"
                           zFract="0.3799802"/>
                     <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="2.04861"
                           xFract="0.2427263"
                           y3="6.26844"
                           yFract="0.74270616"
                           z3="4.30936"
                           zFract="0.19394059"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14883"
                           xFract="0.25460071"
                           y3="6.31783"
                           yFract="0.74855806"
                           z3="8.55749"
                           zFract="0.38512556"/>
                     <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="4.25434"
                           xFract="0.50406872"
                           y3="6.30523"
                           yFract="0.74706517"
                           z3="6.44816"
                           zFract="0.29019622"/>
                     <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="6.31737"
                           xFract="0.74850355"
                           y3="4.38176"
                           yFract="0.51916588"
                           z3="6.40022"
                           zFract="0.2880387"/>
                     <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="4.19709"
                           xFract="0.49728555"
                           y3="4.1618"
                           yFract="0.49310427"
                           z3="4.30172"
                           zFract="0.19359676"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22443"
                           xFract="0.50052488"
                           y3="4.19401"
                           yFract="0.49692062"
                           z3="8.53922"
                           zFract="0.38430333"/>
                     <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="6.41356"
                           xFract="0.75990047"
                           y3="6.34646"
                           yFract="0.75195024"
                           z3="4.21306"
                           zFract="0.18960666"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19933"
                           xFract="0.73451777"
                           y3="6.31856"
                           yFract="0.74864455"
                           z3="9.08451"
                           zFract="0.40884383"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.37118"
                           xFract="0.75487915"
                           y3="6.32496"
                           yFract="0.74940284"
                           z3="10.05035"
                           zFract="0.45231098"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21583"
                           xFract="0.49950592"
                           y3="4.2052"
                           yFract="0.49824645"
                           z3="6.38437"
                           zFract="0.28732538"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="6.3402"
                           yFract="0.75120853"
                           z3="6.24849"
                           zFract="0.28121017"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11977"
                           xFract="0.25115758"
                           y3="6.32465"
                           yFract="0.74936611"
                           z3="6.35769"
                           zFract="0.28612466"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02348"
                           xFract="0.00278199"
                           y3="2.13411"
                           yFract="0.25285664"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <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="-0.00211"
                           xFract="-0.00025"
                           y3="2.09652"
                           yFract="0.24840284"
                           z3="8.41635"
                           zFract="0.37877363"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20631"
                           xFract="0.49837796"
                           y3="-0.02736"
                           yFract="-0.00324171"
                           z3="6.42078"
                           zFract="0.288964"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07914"
                           xFract="0.2463436"
                           y3="0.01152"
                           yFract="0.00136493"
                           z3="8.46044"
                           zFract="0.38075788"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34523"
                           xFract="0.7518045"
                           y3="0.06919"
                           yFract="0.00819787"
                           z3="8.45065"
                           zFract="0.38031728"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09585"
                           xFract="0.24832346"
                           y3="2.06989"
                           yFract="0.24524763"
                           z3="6.31834"
                           zFract="0.28435374"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0283"
                           xFract="-0.00335308"
                           y3="4.23375"
                           yFract="0.50162915"
                           z3="6.32598"
                           zFract="0.28469757"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15343"
                           xFract="0.49211256"
                           y3="6.31602"
                           yFract="0.7483436"
                           z3="8.47047"
                           zFract="0.38120927"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09235"
                           xFract="0.24790877"
                           y3="4.19074"
                           yFract="0.49653318"
                           z3="8.4124"
                           zFract="0.37859586"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12023"
                           xFract="0.25121209"
                           y3="4.24247"
                           yFract="0.50266232"
                           z3="4.23555"
                           zFract="0.19061881"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32984"
                           xFract="0.74998104"
                           y3="4.14039"
                           yFract="0.49056754"
                           z3="8.41617"
                           zFract="0.37876553"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20337"
                           xFract="0.49802962"
                           y3="2.10072"
                           yFract="0.24890047"
                           z3="8.41163"
                           zFract="0.37856121"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20543"
                           xFract="0.4982737"
                           y3="6.33894"
                           yFract="0.75105924"
                           z3="4.26498"
                           zFract="0.19194329"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0138"
                           xFract="-0.00163507"
                           y3="0.01983"
                           yFract="0.00234953"
                           z3="6.32439"
                           zFract="0.28462601"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35842"
                           xFract="0.7533673"
                           y3="0.02173"
                           yFract="0.00257464"
                           z3="4.28331"
                           zFract="0.19276823"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11256"
                           xFract="0.25030332"
                           y3="-0.02292"
                           yFract="-0.00271564"
                           z3="4.24212"
                           zFract="0.19091449"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02305"
                           xFract="0.00273104"
                           y3="6.35066"
                           yFract="0.75244787"
                           z3="4.18738"
                           zFract="0.18845095"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32129"
                           xFract="0.74896801"
                           y3="2.0664"
                           yFract="0.24483412"
                           z3="6.35959"
                           zFract="0.28621017"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11748"
                           xFract="0.01391943"
                           y3="6.33842"
                           yFract="0.75099763"
                           z3="8.38844"
                           zFract="0.37751755"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3074"
                           xFract="0.74732227"
                           y3="4.23111"
                           yFract="0.50131635"
                           z3="4.23191"
                           zFract="0.190455"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="2.07588"
                           yFract="0.24595735"
                           z3="4.23726"
                           zFract="0.19069577"/>
                     <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="0.06065"
                           xFract="0.00718602"
                           y3="2.12093"
                           yFract="0.25129502"
                           z3="6.34146"
                           zFract="0.28539424"/>
                     <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="2.24733"
                           xFract="0.26627133"
                           y3="-0.04069"
                           yFract="-0.00482109"
                           z3="6.41804"
                           zFract="0.28884068"/>
                     <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="0.05373"
                           xFract="0.00636611"
                           y3="0.18266"
                           yFract="0.02164218"
                           z3="4.2171"
                           zFract="0.18978848"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0350"
                           xFract="-0.00414692"
                           y3="-0.0614"
                           yFract="-0.00727488"
                           z3="8.56922"
                           zFract="0.38565347"/>
                     <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="1.99127"
                           xFract="0.23593246"
                           y3="2.18467"
                           yFract="0.25884716"
                           z3="4.20443"
                           zFract="0.18921827"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08642"
                           xFract="0.24720616"
                           y3="2.10074"
                           yFract="0.24890284"
                           z3="8.47305"
                           zFract="0.38132538"/>
                     <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="4.14538"
                           xFract="0.49115877"
                           y3="2.09006"
                           yFract="0.24763744"
                           z3="6.35647"
                           zFract="0.28606976"/>
                     <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="6.16814"
                           xFract="0.73082227"
                           y3="-0.17643"
                           yFract="-0.02090403"
                           z3="6.45309"
                           zFract="0.29041809"/>
                     <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="4.19362"
                           xFract="0.49687441"
                           y3="0.01832"
                           yFract="0.00217062"
                           z3="4.33573"
                           zFract="0.19512736"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22297"
                           xFract="0.5003519"
                           y3="0.0051"
                           yFract="0.00060427"
                           z3="8.56733"
                           zFract="0.38556841"/>
                     <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="6.49908"
                           xFract="0.77003318"
                           y3="2.11691"
                           yFract="0.25081872"
                           z3="4.28778"
                           zFract="0.1929694"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3395"
                           xFract="0.75112559"
                           y3="2.10501"
                           yFract="0.24940877"
                           z3="8.50749"
                           zFract="0.38287534"/>
                     <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="-0.03041"
                           xFract="-0.00360308"
                           y3="6.34574"
                           yFract="0.75186493"
                           z3="6.28607"
                           zFract="0.28290144"/>
                     <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="2.09815"
                           xFract="0.24859597"
                           y3="4.21915"
                           yFract="0.49989929"
                           z3="6.3570"
                           zFract="0.28609361"/>
                     <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="0.02364"
                           xFract="0.00280095"
                           y3="4.08233"
                           yFract="0.48368839"
                           z3="4.26907"
                           zFract="0.19212736"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03349"
                           xFract="-0.00396801"
                           y3="4.27492"
                           yFract="0.50650711"
                           z3="8.44407"
                           zFract="0.38002115"/>
                     <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="2.04927"
                           xFract="0.2428045"
                           y3="6.26861"
                           yFract="0.7427263"
                           z3="4.30979"
                           zFract="0.19395995"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15024"
                           xFract="0.25476777"
                           y3="6.31768"
                           yFract="0.74854028"
                           z3="8.55796"
                           zFract="0.38514671"/>
                     <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="4.25399"
                           xFract="0.50402725"
                           y3="6.30609"
                           yFract="0.74716706"
                           z3="6.45028"
                           zFract="0.29029163"/>
                     <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="6.31649"
                           xFract="0.74839929"
                           y3="4.38213"
                           yFract="0.51920972"
                           z3="6.40057"
                           zFract="0.28805446"/>
                     <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="4.19725"
                           xFract="0.4973045"
                           y3="4.16385"
                           yFract="0.49334716"
                           z3="4.30275"
                           zFract="0.19364311"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22406"
                           xFract="0.50048104"
                           y3="4.19342"
                           yFract="0.49685071"
                           z3="8.54007"
                           zFract="0.38434158"/>
                     <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="6.41312"
                           xFract="0.75984834"
                           y3="6.34629"
                           yFract="0.75193009"
                           z3="4.21429"
                           zFract="0.18966202"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19901"
                           xFract="0.73447986"
                           y3="6.31846"
                           yFract="0.7486327"
                           z3="9.08538"
                           zFract="0.40888299"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.36838"
                           xFract="0.75454739"
                           y3="6.32367"
                           yFract="0.74925"
                           z3="10.04954"
                           zFract="0.45227453"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="4.2059"
                           yFract="0.49832938"
                           z3="6.38579"
                           zFract="0.28738929"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31828"
                           xFract="0.74861137"
                           y3="6.34044"
                           yFract="0.75123697"
                           z3="6.24996"
                           zFract="0.28127633"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11954"
                           xFract="0.25113033"
                           y3="6.32418"
                           yFract="0.74931043"
                           z3="6.35872"
                           zFract="0.28617102"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0237"
                           xFract="0.00280806"
                           y3="2.13313"
                           yFract="0.25274052"
                           z3="4.22837"
                           zFract="0.19029568"/>
                     <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="-0.00234"
                           xFract="-0.00027725"
                           y3="2.09661"
                           yFract="0.24841351"
                           z3="8.41775"
                           zFract="0.37883663"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20696"
                           xFract="0.49845498"
                           y3="-0.02806"
                           yFract="-0.00332464"
                           z3="6.42224"
                           zFract="0.2890297"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07925"
                           xFract="0.24635664"
                           y3="0.01183"
                           yFract="0.00140166"
                           z3="8.46106"
                           zFract="0.38078578"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34498"
                           xFract="0.75177488"
                           y3="0.06972"
                           yFract="0.00826066"
                           z3="8.45329"
                           zFract="0.38043609"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0957"
                           xFract="0.24830569"
                           y3="2.06978"
                           yFract="0.2452346"
                           z3="6.31867"
                           zFract="0.28436859"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02834"
                           xFract="-0.00335782"
                           y3="4.2338"
                           yFract="0.50163507"
                           z3="6.32647"
                           zFract="0.28471962"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15237"
                           xFract="0.49198697"
                           y3="6.31635"
                           yFract="0.7483827"
                           z3="8.47295"
                           zFract="0.38132088"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09218"
                           xFract="0.24788863"
                           y3="4.19006"
                           yFract="0.49645261"
                           z3="8.41366"
                           zFract="0.37865257"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12007"
                           xFract="0.25119313"
                           y3="4.2427"
                           yFract="0.50268957"
                           z3="4.23588"
                           zFract="0.19063366"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32978"
                           xFract="0.74997393"
                           y3="4.13946"
                           yFract="0.49045735"
                           z3="8.41792"
                           zFract="0.37884428"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20287"
                           xFract="0.49797038"
                           y3="2.10039"
                           yFract="0.24886137"
                           z3="8.41286"
                           zFract="0.37861656"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20573"
                           xFract="0.49830924"
                           y3="6.33827"
                           yFract="0.75097986"
                           z3="4.26654"
                           zFract="0.1920135"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01453"
                           xFract="-0.00172156"
                           y3="0.01927"
                           yFract="0.00228318"
                           z3="6.32562"
                           zFract="0.28468137"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35814"
                           xFract="0.75333412"
                           y3="0.02101"
                           yFract="0.00248934"
                           z3="4.28341"
                           zFract="0.19277273"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11265"
                           xFract="0.25031398"
                           y3="-0.02342"
                           yFract="-0.00277488"
                           z3="4.24234"
                           zFract="0.19092439"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02336"
                           xFract="0.00276777"
                           y3="6.35008"
                           yFract="0.75237915"
                           z3="4.18897"
                           zFract="0.1885225"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32176"
                           xFract="0.7490237"
                           y3="2.0670"
                           yFract="0.24490521"
                           z3="6.36144"
                           zFract="0.28629343"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11679"
                           xFract="0.01383768"
                           y3="6.33776"
                           yFract="0.75091943"
                           z3="8.39088"
                           zFract="0.37762736"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30803"
                           xFract="0.74739692"
                           y3="4.23092"
                           yFract="0.50129384"
                           z3="4.23235"
                           zFract="0.1904748"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21741"
                           xFract="0.49969313"
                           y3="2.07622"
                           yFract="0.24599763"
                           z3="4.23776"
                           zFract="0.19071827"/>
                     <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="0.06011"
                           xFract="0.00712204"
                           y3="2.12125"
                           yFract="0.25133294"
                           z3="6.34136"
                           zFract="0.28538974"/>
                     <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="2.24778"
                           xFract="0.26632464"
                           y3="-0.04041"
                           yFract="-0.00478791"
                           z3="6.41813"
                           zFract="0.28884473"/>
                     <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="0.05254"
                           xFract="0.00622512"
                           y3="0.18119"
                           yFract="0.02146801"
                           z3="4.21801"
                           zFract="0.18982943"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03517"
                           xFract="-0.00416706"
                           y3="-0.06043"
                           yFract="-0.00715995"
                           z3="8.5697"
                           zFract="0.38567507"/>
                     <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="1.99188"
                           xFract="0.23600474"
                           y3="2.18447"
                           yFract="0.25882346"
                           z3="4.20456"
                           zFract="0.18922412"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08674"
                           xFract="0.24724408"
                           y3="2.10061"
                           yFract="0.24888744"
                           z3="8.47215"
                           zFract="0.38128488"/>
                     <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="4.14596"
                           xFract="0.49122749"
                           y3="2.08992"
                           yFract="0.24762085"
                           z3="6.35724"
                           zFract="0.28610441"/>
                     <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="6.16751"
                           xFract="0.73074763"
                           y3="-0.17632"
                           yFract="-0.020891"
                           z3="6.45459"
                           zFract="0.2904856"/>
                     <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="4.1949"
                           xFract="0.49702607"
                           y3="0.01686"
                           yFract="0.00199763"
                           z3="4.33698"
                           zFract="0.19518362"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22255"
                           xFract="0.50030213"
                           y3="0.00555"
                           yFract="0.00065758"
                           z3="8.5685"
                           zFract="0.38562106"/>
                     <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="6.49739"
                           xFract="0.76983294"
                           y3="2.1168"
                           yFract="0.25080569"
                           z3="4.28777"
                           zFract="0.19296895"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33841"
                           xFract="0.75099645"
                           y3="2.10532"
                           yFract="0.2494455"
                           z3="8.51107"
                           zFract="0.38303645"/>
                     <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="-0.02977"
                           xFract="-0.00352725"
                           y3="6.34504"
                           yFract="0.75178199"
                           z3="6.28873"
                           zFract="0.28302115"/>
                     <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="2.09873"
                           xFract="0.24866469"
                           y3="4.21881"
                           yFract="0.499859"
                           z3="6.35736"
                           zFract="0.28610981"/>
                     <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="0.0234"
                           xFract="0.00277251"
                           y3="4.08241"
                           yFract="0.48369787"
                           z3="4.26991"
                           zFract="0.19216517"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03349"
                           xFract="-0.00396801"
                           y3="4.27355"
                           yFract="0.50634479"
                           z3="8.44568"
                           zFract="0.38009361"/>
                     <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="2.04992"
                           xFract="0.24288152"
                           y3="6.26937"
                           yFract="0.74281635"
                           z3="4.31049"
                           zFract="0.19399145"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15005"
                           xFract="0.25474526"
                           y3="6.3176"
                           yFract="0.74853081"
                           z3="8.55909"
                           zFract="0.38519757"/>
                     <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="4.25388"
                           xFract="0.50401422"
                           y3="6.30737"
                           yFract="0.74731872"
                           z3="6.45297"
                           zFract="0.29041269"/>
                     <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="6.31573"
                           xFract="0.74830924"
                           y3="4.38148"
                           yFract="0.5191327"
                           z3="6.40137"
                           zFract="0.28809046"/>
                     <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="4.19774"
                           xFract="0.49736256"
                           y3="4.1655"
                           yFract="0.49354265"
                           z3="4.30368"
                           zFract="0.19368497"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22359"
                           xFract="0.50042536"
                           y3="4.19304"
                           yFract="0.49680569"
                           z3="8.54148"
                           zFract="0.38440504"/>
                     <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="6.41298"
                           xFract="0.75983175"
                           y3="6.34584"
                           yFract="0.75187678"
                           z3="4.21571"
                           zFract="0.18972592"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19963"
                           xFract="0.73455332"
                           y3="6.31819"
                           yFract="0.74860071"
                           z3="9.08955"
                           zFract="0.40907066"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.36563"
                           xFract="0.75422156"
                           y3="6.3224"
                           yFract="0.74909953"
                           z3="10.04875"
                           zFract="0.45223897"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21596"
                           xFract="0.49952133"
                           y3="4.20658"
                           yFract="0.49840995"
                           z3="6.3872"
                           zFract="0.28745275"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31844"
                           xFract="0.74863033"
                           y3="6.34069"
                           yFract="0.75126659"
                           z3="6.25141"
                           zFract="0.28134158"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1193"
                           xFract="0.2511019"
                           y3="6.32373"
                           yFract="0.74925711"
                           z3="6.35974"
                           zFract="0.28621692"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0239"
                           xFract="0.00283175"
                           y3="2.13217"
                           yFract="0.25262678"
                           z3="4.22815"
                           zFract="0.19028578"/>
                     <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="-0.00257"
                           xFract="-0.0003045"
                           y3="2.09669"
                           yFract="0.24842299"
                           z3="8.41912"
                           zFract="0.37889829"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20761"
                           xFract="0.49853199"
                           y3="-0.02875"
                           yFract="-0.0034064"
                           z3="6.42368"
                           zFract="0.28909451"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07935"
                           xFract="0.24636848"
                           y3="0.01214"
                           yFract="0.00143839"
                           z3="8.46167"
                           zFract="0.38081323"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34474"
                           xFract="0.75174645"
                           y3="0.07023"
                           yFract="0.00832109"
                           z3="8.45589"
                           zFract="0.38055311"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09555"
                           xFract="0.24828791"
                           y3="2.06967"
                           yFract="0.24522156"
                           z3="6.3190"
                           zFract="0.28438344"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02838"
                           xFract="-0.00336256"
                           y3="4.23385"
                           yFract="0.501641"
                           z3="6.32695"
                           zFract="0.28474122"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15132"
                           xFract="0.49186256"
                           y3="6.31666"
                           yFract="0.74841943"
                           z3="8.4754"
                           zFract="0.38143114"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09201"
                           xFract="0.24786848"
                           y3="4.18939"
                           yFract="0.49637322"
                           z3="8.4149"
                           zFract="0.37870837"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11992"
                           xFract="0.25117536"
                           y3="4.24292"
                           yFract="0.50271564"
                           z3="4.2362"
                           zFract="0.19064806"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32972"
                           xFract="0.74996682"
                           y3="4.13855"
                           yFract="0.49034953"
                           z3="8.41965"
                           zFract="0.37892214"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20238"
                           xFract="0.49791232"
                           y3="2.10007"
                           yFract="0.24882346"
                           z3="8.41408"
                           zFract="0.37867147"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20603"
                           xFract="0.49834479"
                           y3="6.33761"
                           yFract="0.75090166"
                           z3="4.26808"
                           zFract="0.19208281"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01525"
                           xFract="-0.00180687"
                           y3="0.01872"
                           yFract="0.00221801"
                           z3="6.32683"
                           zFract="0.28473582"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35786"
                           xFract="0.75330095"
                           y3="0.0203"
                           yFract="0.00240521"
                           z3="4.28351"
                           zFract="0.19277723"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11274"
                           xFract="0.25032464"
                           y3="-0.02391"
                           yFract="-0.00283294"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02367"
                           xFract="0.0028045"
                           y3="6.3495"
                           yFract="0.75231043"
                           z3="4.19052"
                           zFract="0.18859226"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32221"
                           xFract="0.74907701"
                           y3="2.06758"
                           yFract="0.24497393"
                           z3="6.36325"
                           zFract="0.28637489"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11611"
                           xFract="0.01375711"
                           y3="6.33712"
                           yFract="0.7508436"
                           z3="8.39328"
                           zFract="0.37773537"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30864"
                           xFract="0.74746919"
                           y3="4.23074"
                           yFract="0.50127251"
                           z3="4.23278"
                           zFract="0.19049415"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21804"
                           xFract="0.49976777"
                           y3="2.07656"
                           yFract="0.24603791"
                           z3="4.23825"
                           zFract="0.19074032"/>
                     <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="0.05958"
                           xFract="0.00705924"
                           y3="2.12157"
                           yFract="0.25137085"
                           z3="6.34127"
                           zFract="0.28538569"/>
                     <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="2.24823"
                           xFract="0.26637796"
                           y3="-0.04013"
                           yFract="-0.00475474"
                           z3="6.41821"
                           zFract="0.28884833"/>
                     <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="0.05136"
                           xFract="0.00608531"
                           y3="0.17974"
                           yFract="0.02129621"
                           z3="4.21891"
                           zFract="0.18986994"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03534"
                           xFract="-0.0041872"
                           y3="-0.05948"
                           yFract="-0.00704739"
                           z3="8.57017"
                           zFract="0.38569622"/>
                     <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="1.99248"
                           xFract="0.23607583"
                           y3="2.18428"
                           yFract="0.25880095"
                           z3="4.20469"
                           zFract="0.18922997"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08705"
                           xFract="0.24728081"
                           y3="2.10049"
                           yFract="0.24887322"
                           z3="8.47126"
                           zFract="0.38124482"/>
                     <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="4.14653"
                           xFract="0.49129502"
                           y3="2.08979"
                           yFract="0.24760545"
                           z3="6.3580"
                           zFract="0.28613861"/>
                     <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="6.1669"
                           xFract="0.73067536"
                           y3="-0.17621"
                           yFract="-0.02087796"
                           z3="6.45606"
                           zFract="0.29055176"/>
                     <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="4.19617"
                           xFract="0.49717654"
                           y3="0.01542"
                           yFract="0.00182701"
                           z3="4.33821"
                           zFract="0.19523897"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22214"
                           xFract="0.50025355"
                           y3="0.00598"
                           yFract="0.00070853"
                           z3="8.56965"
                           zFract="0.38567282"/>
                     <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="6.49573"
                           xFract="0.76963626"
                           y3="2.11668"
                           yFract="0.25079147"
                           z3="4.28776"
                           zFract="0.1929685"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33735"
                           xFract="0.75087085"
                           y3="2.10562"
                           yFract="0.24948104"
                           z3="8.5146"
                           zFract="0.38319532"/>
                     <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="-0.02915"
                           xFract="-0.00345379"
                           y3="6.34436"
                           yFract="0.75170142"
                           z3="6.29134"
                           zFract="0.28313861"/>
                     <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="2.0993"
                           xFract="0.24873223"
                           y3="4.21847"
                           yFract="0.49981872"
                           z3="6.35772"
                           zFract="0.28612601"/>
                     <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="0.02316"
                           xFract="0.00274408"
                           y3="4.0825"
                           yFract="0.48370853"
                           z3="4.27073"
                           zFract="0.19220207"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03348"
                           xFract="-0.00396682"
                           y3="4.27221"
                           yFract="0.50618602"
                           z3="8.44726"
                           zFract="0.38016472"/>
                     <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="2.05056"
                           xFract="0.24295735"
                           y3="6.27012"
                           yFract="0.74290521"
                           z3="4.31119"
                           zFract="0.19402295"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14986"
                           xFract="0.25472275"
                           y3="6.31752"
                           yFract="0.74852133"
                           z3="8.5602"
                           zFract="0.38524752"/>
                     <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="4.25378"
                           xFract="0.50400237"
                           y3="6.30862"
                           yFract="0.74746682"
                           z3="6.45562"
                           zFract="0.29053195"/>
                     <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="6.31497"
                           xFract="0.74821919"
                           y3="4.38085"
                           yFract="0.51905806"
                           z3="6.40216"
                           zFract="0.28812601"/>
                     <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="4.19822"
                           xFract="0.49741943"
                           y3="4.16712"
                           yFract="0.4937346"
                           z3="4.3046"
                           zFract="0.19372637"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22314"
                           xFract="0.50037204"
                           y3="4.19266"
                           yFract="0.49676066"
                           z3="8.54286"
                           zFract="0.38446715"/>
                     <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="6.41284"
                           xFract="0.75981517"
                           y3="6.3454"
                           yFract="0.75182464"
                           z3="4.2171"
                           zFract="0.18978848"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20023"
                           xFract="0.73462441"
                           y3="6.31793"
                           yFract="0.74856991"
                           z3="9.09365"
                           zFract="0.40925518"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a45" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.36412"
                           xFract="0.75404265"
                           y3="6.32157"
                           yFract="0.74900118"
                           z3="10.05014"
                           zFract="0.45230153"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21595"
                           xFract="0.49952014"
                           y3="4.20695"
                           yFract="0.49845379"
                           z3="6.38808"
                           zFract="0.28749235"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31843"
                           xFract="0.74862915"
                           y3="6.34105"
                           yFract="0.75130924"
                           z3="6.2523"
                           zFract="0.28138164"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11923"
                           xFract="0.2510936"
                           y3="6.32333"
                           yFract="0.74920972"
                           z3="6.36035"
                           zFract="0.28624437"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02441"
                           xFract="0.00289218"
                           y3="2.1315"
                           yFract="0.25254739"
                           z3="4.22821"
                           zFract="0.19028848"/>
                     <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="-0.00293"
                           xFract="-0.00034716"
                           y3="2.09673"
                           yFract="0.24842773"
                           z3="8.41999"
                           zFract="0.37893744"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20848"
                           xFract="0.49863507"
                           y3="-0.02921"
                           yFract="-0.0034609"
                           z3="6.4244"
                           zFract="0.28912691"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07935"
                           xFract="0.24636848"
                           y3="0.01225"
                           yFract="0.00145142"
                           z3="8.46201"
                           zFract="0.38082853"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34455"
                           xFract="0.75172393"
                           y3="0.07056"
                           yFract="0.00836019"
                           z3="8.45772"
                           zFract="0.38063546"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09551"
                           xFract="0.24828318"
                           y3="2.06972"
                           yFract="0.24522749"
                           z3="6.31921"
                           zFract="0.28439289"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02844"
                           xFract="-0.00336967"
                           y3="4.23379"
                           yFract="0.50163389"
                           z3="6.32718"
                           zFract="0.28475158"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.15089"
                           xFract="0.49181161"
                           y3="6.31678"
                           yFract="0.74843365"
                           z3="8.47709"
                           zFract="0.3815072"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09198"
                           xFract="0.24786493"
                           y3="4.18899"
                           yFract="0.49632583"
                           z3="8.41551"
                           zFract="0.37873582"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11987"
                           xFract="0.25116943"
                           y3="4.24298"
                           yFract="0.50272275"
                           z3="4.23642"
                           zFract="0.19065797"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32949"
                           xFract="0.74993957"
                           y3="4.13801"
                           yFract="0.49028555"
                           z3="8.42088"
                           zFract="0.3789775"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20209"
                           xFract="0.49787796"
                           y3="2.1000"
                           yFract="0.24881517"
                           z3="8.41468"
                           zFract="0.37869847"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20624"
                           xFract="0.49836967"
                           y3="6.33723"
                           yFract="0.75085664"
                           z3="4.26908"
                           zFract="0.19212781"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01571"
                           xFract="-0.00186137"
                           y3="0.01836"
                           yFract="0.00217536"
                           z3="6.32757"
                           zFract="0.28476913"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35763"
                           xFract="0.7532737"
                           y3="0.01989"
                           yFract="0.00235664"
                           z3="4.28358"
                           zFract="0.19278038"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11276"
                           xFract="0.25032701"
                           y3="-0.02434"
                           yFract="-0.00288389"
                           z3="4.24263"
                           zFract="0.19093744"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02375"
                           xFract="0.00281398"
                           y3="6.34918"
                           yFract="0.75227251"
                           z3="4.19146"
                           zFract="0.18863456"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32244"
                           xFract="0.74910427"
                           y3="2.06795"
                           yFract="0.24501777"
                           z3="6.36453"
                           zFract="0.28643249"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11585"
                           xFract="0.0137263"
                           y3="6.33679"
                           yFract="0.7508045"
                           z3="8.39482"
                           zFract="0.37780468"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30896"
                           xFract="0.74750711"
                           y3="4.2306"
                           yFract="0.50125592"
                           z3="4.23318"
                           zFract="0.19051215"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.21853"
                           xFract="0.49982583"
                           y3="2.07673"
                           yFract="0.24605806"
                           z3="4.23851"
                           zFract="0.19075203"/>
                     <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="0.05913"
                           xFract="0.00700592"
                           y3="2.1215"
                           yFract="0.25136256"
                           z3="6.34125"
                           zFract="0.28538479"/>
                     <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="2.24835"
                           xFract="0.26639218"
                           y3="-0.03984"
                           yFract="-0.00472038"
                           z3="6.41846"
                           zFract="0.28885959"/>
                     <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="0.05057"
                           xFract="0.00599171"
                           y3="0.17901"
                           yFract="0.02120972"
                           z3="4.21956"
                           zFract="0.18989919"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03531"
                           xFract="-0.00418365"
                           y3="-0.05919"
                           yFract="-0.00701303"
                           z3="8.57043"
                           zFract="0.38570792"/>
                     <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="1.99282"
                           xFract="0.23611611"
                           y3="2.18405"
                           yFract="0.2587737"
                           z3="4.2049"
                           zFract="0.18923942"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08721"
                           xFract="0.24729976"
                           y3="2.10041"
                           yFract="0.24886374"
                           z3="8.47085"
                           zFract="0.38122637"/>
                     <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="4.14702"
                           xFract="0.49135308"
                           y3="2.08959"
                           yFract="0.24758175"
                           z3="6.35865"
                           zFract="0.28616787"/>
                     <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="6.1662"
                           xFract="0.73059242"
                           y3="-0.17605"
                           yFract="-0.020859"
                           z3="6.45725"
                           zFract="0.29060531"/>
                     <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="4.19701"
                           xFract="0.49727607"
                           y3="0.01465"
                           yFract="0.00173578"
                           z3="4.33909"
                           zFract="0.19527858"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22185"
                           xFract="0.50021919"
                           y3="0.00612"
                           yFract="0.00072512"
                           z3="8.57045"
                           zFract="0.38570882"/>
                     <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="6.4945"
                           xFract="0.76949052"
                           y3="2.1166"
                           yFract="0.25078199"
                           z3="4.2877"
                           zFract="0.1929658"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33678"
                           xFract="0.75080332"
                           y3="2.10574"
                           yFract="0.24949526"
                           z3="8.51682"
                           zFract="0.38329523"/>
                     <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="-0.0287"
                           xFract="-0.00340047"
                           y3="6.34408"
                           yFract="0.75166825"
                           z3="6.29319"
                           zFract="0.28322187"/>
                     <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="2.09956"
                           xFract="0.24876303"
                           y3="4.21818"
                           yFract="0.49978436"
                           z3="6.35808"
                           zFract="0.28614221"/>
                     <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="0.02295"
                           xFract="0.00271919"
                           y3="4.08267"
                           yFract="0.48372867"
                           z3="4.27125"
                           zFract="0.19222547"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0334"
                           xFract="-0.00395735"
                           y3="4.27159"
                           yFract="0.50611256"
                           z3="8.4484"
                           zFract="0.38021602"/>
                     <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="2.05092"
                           xFract="0.2430"
                           y3="6.27069"
                           yFract="0.74297275"
                           z3="4.3117"
                           zFract="0.1940459"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14916"
                           xFract="0.25463981"
                           y3="6.3175"
                           yFract="0.74851896"
                           z3="8.56109"
                           zFract="0.38528758"/>
                     <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="4.25376"
                           xFract="0.5040"
                           y3="6.30949"
                           yFract="0.74756991"
                           z3="6.45743"
                           zFract="0.29061341"/>
                     <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="4.38025"
                           yFract="0.51898697"
                           z3="6.40285"
                           zFract="0.28815707"/>
                     <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="4.19856"
                           xFract="0.49745972"
                           y3="4.16796"
                           yFract="0.49383412"
                           z3="4.30512"
                           zFract="0.19374977"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22285"
                           xFract="0.50033768"
                           y3="4.19256"
                           yFract="0.49674882"
                           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="6.41287"
                           xFract="0.75981872"
                           y3="6.34505"
                           yFract="0.75178318"
                           z3="4.2180"
                           zFract="0.18982898"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20035"
                           xFract="0.73463863"
                           y3="6.31772"
                           yFract="0.74854502"
                           z3="9.09448"
                           zFract="0.40929253"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.35957"
                           xFract="0.75350355"
                           y3="6.31909"
                           yFract="0.74870735"
                           z3="10.0543"
                           zFract="0.45248875"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21594"
                           xFract="0.49951896"
                           y3="4.20805"
                           yFract="0.49858412"
                           z3="6.39074"
                           zFract="0.28761206"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3184"
                           xFract="0.74862559"
                           y3="6.34214"
                           yFract="0.75143839"
                           z3="6.25498"
                           zFract="0.28150225"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11901"
                           xFract="0.25106754"
                           y3="6.32213"
                           yFract="0.74906754"
                           z3="6.36219"
                           zFract="0.28632718"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02593"
                           xFract="0.00307227"
                           y3="2.1295"
                           yFract="0.25231043"
                           z3="4.22839"
                           zFract="0.19029658"/>
                     <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="-0.0040"
                           xFract="-0.00047393"
                           y3="2.09682"
                           yFract="0.24843839"
                           z3="8.4226"
                           zFract="0.37905491"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21111"
                           xFract="0.49894668"
                           y3="-0.03057"
                           yFract="-0.00362204"
                           z3="6.42657"
                           zFract="0.28922457"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07934"
                           xFract="0.2463673"
                           y3="0.01259"
                           yFract="0.00149171"
                           z3="8.46304"
                           zFract="0.38087489"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34397"
                           xFract="0.75165521"
                           y3="0.07154"
                           yFract="0.0084763"
                           z3="8.46319"
                           zFract="0.38088164"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09539"
                           xFract="0.24826896"
                           y3="2.06985"
                           yFract="0.24524289"
                           z3="6.31982"
                           zFract="0.28442034"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02863"
                           xFract="-0.00339218"
                           y3="4.23359"
                           yFract="0.50161019"
                           z3="6.32784"
                           zFract="0.28478128"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1496"
                           xFract="0.49165877"
                           y3="6.31713"
                           yFract="0.74847512"
                           z3="8.48218"
                           zFract="0.38173627"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09189"
                           xFract="0.24785427"
                           y3="4.18779"
                           yFract="0.49618365"
                           z3="8.41733"
                           zFract="0.37881773"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11973"
                           xFract="0.25115284"
                           y3="4.24317"
                           yFract="0.50274526"
                           z3="4.23709"
                           zFract="0.19068812"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32882"
                           xFract="0.74986019"
                           y3="4.1364"
                           yFract="0.49009479"
                           z3="8.42456"
                           zFract="0.37914311"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.20123"
                           xFract="0.49777607"
                           y3="2.09979"
                           yFract="0.24879028"
                           z3="8.41648"
                           zFract="0.37877948"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20688"
                           xFract="0.4984455"
                           y3="6.3361"
                           yFract="0.75072275"
                           z3="4.27206"
                           zFract="0.19226193"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0171"
                           xFract="-0.00202607"
                           y3="0.0173"
                           yFract="0.00204976"
                           z3="6.32978"
                           zFract="0.28486859"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35694"
                           xFract="0.75319194"
                           y3="0.01863"
                           yFract="0.00220735"
                           z3="4.28381"
                           zFract="0.19279073"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11284"
                           xFract="0.25033649"
                           y3="-0.02561"
                           yFract="-0.00303436"
                           z3="4.24287"
                           zFract="0.19094824"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02399"
                           xFract="0.00284242"
                           y3="6.34821"
                           yFract="0.75215758"
                           z3="4.19429"
                           zFract="0.18876193"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3231"
                           xFract="0.74918246"
                           y3="2.06907"
                           yFract="0.24515047"
                           z3="6.36836"
                           zFract="0.28660486"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11505"
                           xFract="0.01363152"
                           y3="6.33579"
                           yFract="0.75068602"
                           z3="8.39942"
                           zFract="0.3780117"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30992"
                           xFract="0.74762085"
                           y3="4.2302"
                           yFract="0.50120853"
                           z3="4.2344"
                           zFract="0.19056706"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22002"
                           xFract="0.50000237"
                           y3="2.07724"
                           yFract="0.24611848"
                           z3="4.23928"
                           zFract="0.19078668"/>
                     <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="0.0578"
                           xFract="0.00684834"
                           y3="2.12132"
                           yFract="0.25134123"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <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="2.2487"
                           xFract="0.26643365"
                           y3="-0.03898"
                           yFract="-0.00461848"
                           z3="6.4192"
                           zFract="0.28889289"/>
                     <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="0.04821"
                           xFract="0.00571209"
                           y3="0.17681"
                           yFract="0.02094905"
                           z3="4.22151"
                           zFract="0.18998695"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03523"
                           xFract="-0.00417417"
                           y3="-0.0583"
                           yFract="-0.00690758"
                           z3="8.5712"
                           zFract="0.38574257"/>
                     <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="1.99386"
                           xFract="0.23623934"
                           y3="2.18338"
                           yFract="0.25869431"
                           z3="4.20552"
                           zFract="0.18926733"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08768"
                           xFract="0.24735545"
                           y3="2.10014"
                           yFract="0.24883175"
                           z3="8.4696"
                           zFract="0.38117012"/>
                     <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="4.14849"
                           xFract="0.49152725"
                           y3="2.08898"
                           yFract="0.24750948"
                           z3="6.36062"
                           zFract="0.28625653"/>
                     <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="6.16409"
                           xFract="0.73034242"
                           y3="-0.17557"
                           yFract="-0.02080213"
                           z3="6.46083"
                           zFract="0.29076643"/>
                     <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="4.19955"
                           xFract="0.49757701"
                           y3="0.01234"
                           yFract="0.00146209"
                           z3="4.34174"
                           zFract="0.19539784"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22099"
                           xFract="0.5001173"
                           y3="0.00652"
                           yFract="0.00077251"
                           z3="8.57285"
                           zFract="0.38581683"/>
                     <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="6.49082"
                           xFract="0.7690545"
                           y3="2.11635"
                           yFract="0.25075237"
                           z3="4.28753"
                           zFract="0.19295815"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33508"
                           xFract="0.7506019"
                           y3="2.10608"
                           yFract="0.24953555"
                           z3="8.52349"
                           zFract="0.38359541"/>
                     <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="-0.02735"
                           xFract="-0.00324052"
                           y3="6.34325"
                           yFract="0.75156991"
                           z3="6.29872"
                           zFract="0.28347075"/>
                     <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="2.10035"
                           xFract="0.24885664"
                           y3="4.21732"
                           yFract="0.49968246"
                           z3="6.35915"
                           zFract="0.28619037"/>
                     <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="0.02231"
                           xFract="0.00264336"
                           y3="4.08317"
                           yFract="0.48378791"
                           z3="4.27282"
                           zFract="0.19229613"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03317"
                           xFract="-0.00393009"
                           y3="4.26974"
                           yFract="0.50589336"
                           z3="8.45181"
                           zFract="0.38036949"/>
                     <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="2.0520"
                           xFract="0.24312796"
                           y3="6.27241"
                           yFract="0.74317654"
                           z3="4.31325"
                           zFract="0.19411566"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14705"
                           xFract="0.25438981"
                           y3="6.31744"
                           yFract="0.74851185"
                           z3="8.56376"
                           zFract="0.38540774"/>
                     <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="4.25371"
                           xFract="0.50399408"
                           y3="6.31209"
                           yFract="0.74787796"
                           z3="6.46285"
                           zFract="0.29085734"/>
                     <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="6.3135"
                           xFract="0.74804502"
                           y3="4.37844"
                           yFract="0.51877251"
                           z3="6.40494"
                           zFract="0.28825113"/>
                     <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="4.19958"
                           xFract="0.49758057"
                           y3="4.17046"
                           yFract="0.49413033"
                           z3="4.30668"
                           zFract="0.19381998"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22197"
                           xFract="0.50023341"
                           y3="4.19224"
                           yFract="0.4967109"
                           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="6.41297"
                           xFract="0.75983057"
                           y3="6.3440"
                           yFract="0.75165877"
                           z3="4.22068"
                           zFract="0.18994959"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20071"
                           xFract="0.73468128"
                           y3="6.31708"
                           yFract="0.74846919"
                           z3="9.09694"
                           zFract="0.40940324"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.35049"
                           xFract="0.75242773"
                           y3="6.31413"
                           yFract="0.74811967"
                           z3="10.06263"
                           zFract="0.45286364"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2159"
                           xFract="0.49951422"
                           y3="4.21025"
                           yFract="0.49884479"
                           z3="6.39605"
                           zFract="0.28785104"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31835"
                           xFract="0.74861967"
                           y3="6.34431"
                           yFract="0.7516955"
                           z3="6.26034"
                           zFract="0.28174347"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11858"
                           xFract="0.25101659"
                           y3="6.31974"
                           yFract="0.74878436"
                           z3="6.36586"
                           zFract="0.28649235"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02897"
                           xFract="0.00343246"
                           y3="2.1255"
                           yFract="0.25183649"
                           z3="4.22874"
                           zFract="0.19031233"/>
                     <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="-0.00616"
                           xFract="-0.00072986"
                           y3="2.09701"
                           yFract="0.2484609"
                           z3="8.42781"
                           zFract="0.37928938"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21636"
                           xFract="0.49956872"
                           y3="-0.0333"
                           yFract="-0.0039455"
                           z3="6.4309"
                           zFract="0.28941944"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07933"
                           xFract="0.24636611"
                           y3="0.01325"
                           yFract="0.00156991"
                           z3="8.46508"
                           zFract="0.3809667"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34281"
                           xFract="0.75151777"
                           y3="0.0735"
                           yFract="0.00870853"
                           z3="8.47415"
                           zFract="0.38137489"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09515"
                           xFract="0.24824052"
                           y3="2.0701"
                           yFract="0.24527251"
                           z3="6.32105"
                           zFract="0.2844757"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02901"
                           xFract="-0.0034372"
                           y3="4.2332"
                           yFract="0.50156398"
                           z3="6.32918"
                           zFract="0.28484158"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14701"
                           xFract="0.4913519"
                           y3="6.31784"
                           yFract="0.74855924"
                           z3="8.49235"
                           zFract="0.38219397"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09172"
                           xFract="0.24783412"
                           y3="4.18539"
                           yFract="0.49589929"
                           z3="8.42098"
                           zFract="0.378982"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11945"
                           xFract="0.25111967"
                           y3="4.24355"
                           yFract="0.50279028"
                           z3="4.23842"
                           zFract="0.19074797"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32748"
                           xFract="0.74970142"
                           y3="4.13316"
                           yFract="0.4897109"
                           z3="8.43194"
                           zFract="0.37947525"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19949"
                           xFract="0.49756991"
                           y3="2.09937"
                           yFract="0.24874052"
                           z3="8.42008"
                           zFract="0.37894149"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20815"
                           xFract="0.49859597"
                           y3="6.33385"
                           yFract="0.75045616"
                           z3="4.27802"
                           zFract="0.19253015"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.01988"
                           xFract="-0.00235545"
                           y3="0.01518"
                           yFract="0.00179858"
                           z3="6.33421"
                           zFract="0.28506796"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35556"
                           xFract="0.75302844"
                           y3="0.01612"
                           yFract="0.00190995"
                           z3="4.28426"
                           zFract="0.19281098"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11299"
                           xFract="0.25035427"
                           y3="-0.02817"
                           yFract="-0.00333768"
                           z3="4.24335"
                           zFract="0.19096985"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02446"
                           xFract="0.0028981"
                           y3="6.34628"
                           yFract="0.75192891"
                           z3="4.19993"
                           zFract="0.18901575"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32444"
                           xFract="0.74934123"
                           y3="2.07129"
                           yFract="0.24541351"
                           z3="6.37603"
                           zFract="0.28695005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11345"
                           xFract="0.01344194"
                           y3="6.33379"
                           yFract="0.75044905"
                           z3="8.40862"
                           zFract="0.37842574"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31184"
                           xFract="0.74784834"
                           y3="4.22939"
                           yFract="0.50111256"
                           z3="4.23683"
                           zFract="0.19067642"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22298"
                           xFract="0.50035308"
                           y3="2.07825"
                           yFract="0.24623815"
                           z3="4.24083"
                           zFract="0.19085644"/>
                     <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="0.05514"
                           xFract="0.00653318"
                           y3="2.12095"
                           yFract="0.25129739"
                           z3="6.34108"
                           zFract="0.28537714"/>
                     <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="2.2494"
                           xFract="0.26651659"
                           y3="-0.03725"
                           yFract="-0.00441351"
                           z3="6.42067"
                           zFract="0.28895905"/>
                     <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="0.04349"
                           xFract="0.00515284"
                           y3="0.17241"
                           yFract="0.02042773"
                           z3="4.2254"
                           zFract="0.19016202"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03507"
                           xFract="-0.00415521"
                           y3="-0.05654"
                           yFract="-0.00669905"
                           z3="8.57275"
                           zFract="0.38581233"/>
                     <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="1.99593"
                           xFract="0.2364846"
                           y3="2.18203"
                           yFract="0.25853436"
                           z3="4.20675"
                           zFract="0.18932268"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08863"
                           xFract="0.24746801"
                           y3="2.09961"
                           yFract="0.24876896"
                           z3="8.46712"
                           zFract="0.38105851"/>
                     <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="4.15143"
                           xFract="0.49187559"
                           y3="2.08775"
                           yFract="0.24736374"
                           z3="6.36454"
                           zFract="0.28643294"/>
                     <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="6.15988"
                           xFract="0.7298436"
                           y3="-0.17459"
                           yFract="-0.02068602"
                           z3="6.46799"
                           zFract="0.29108866"/>
                     <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="4.20463"
                           xFract="0.49817891"
                           y3="0.00771"
                           yFract="0.00091351"
                           z3="4.34702"
                           zFract="0.19563546"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21926"
                           xFract="0.49991232"
                           y3="0.00732"
                           yFract="0.0008673"
                           z3="8.57764"
                           zFract="0.3860324"/>
                     <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="6.48346"
                           xFract="0.76818246"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="4.28718"
                           zFract="0.19294239"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33167"
                           xFract="0.75019787"
                           y3="2.10678"
                           yFract="0.24961848"
                           z3="8.53683"
                           zFract="0.38419577"/>
                     <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="-0.02464"
                           xFract="-0.00291943"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="6.30979"
                           zFract="0.28396895"/>
                     <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="4.2156"
                           yFract="0.49947867"
                           z3="6.3613"
                           zFract="0.28628713"/>
                     <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="0.02104"
                           xFract="0.00249289"
                           y3="4.08418"
                           yFract="0.48390758"
                           z3="4.27594"
                           zFract="0.19243654"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0327"
                           xFract="-0.00387441"
                           y3="4.26605"
                           yFract="0.50545616"
                           z3="8.45863"
                           zFract="0.38067642"/>
                     <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="2.05416"
                           xFract="0.24338389"
                           y3="6.27586"
                           yFract="0.74358531"
                           z3="4.31635"
                           zFract="0.19425518"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14283"
                           xFract="0.25388981"
                           y3="6.31733"
                           yFract="0.74849882"
                           z3="8.56909"
                           zFract="0.38564761"/>
                     <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="4.25362"
                           xFract="0.50398341"
                           y3="6.31728"
                           yFract="0.74849289"
                           z3="6.4737"
                           zFract="0.29134563"/>
                     <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="6.31129"
                           xFract="0.74778318"
                           y3="4.37483"
                           yFract="0.51834479"
                           z3="6.40911"
                           zFract="0.28843879"/>
                     <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="4.20162"
                           xFract="0.49782227"
                           y3="4.17547"
                           yFract="0.49472393"
                           z3="4.3098"
                           zFract="0.1939604"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22021"
                           xFract="0.50002488"
                           y3="4.19161"
                           yFract="0.49663626"
                           z3="8.55292"
                           zFract="0.38491989"/>
                     <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="6.41316"
                           xFract="0.75985308"
                           y3="6.3419"
                           yFract="0.75140995"
                           z3="4.22604"
                           zFract="0.19019082"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20143"
                           xFract="0.73476659"
                           y3="6.31581"
                           yFract="0.74831872"
                           z3="9.10186"
                           zFract="0.40962466"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a34" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34782"
                           xFract="0.75211137"
                           y3="6.31268"
                           yFract="0.74794787"
                           z3="10.06507"
                           zFract="0.45297345"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="4.2109"
                           yFract="0.4989218"
                           z3="6.39761"
                           zFract="0.28792124"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31833"
                           xFract="0.7486173"
                           y3="6.34495"
                           yFract="0.75177133"
                           z3="6.26192"
                           zFract="0.28181458"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11845"
                           xFract="0.25100118"
                           y3="6.31904"
                           yFract="0.74870142"
                           z3="6.36694"
                           zFract="0.28654095"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02987"
                           xFract="0.0035391"
                           y3="2.12432"
                           yFract="0.25169668"
                           z3="4.22885"
                           zFract="0.19031728"/>
                     <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="-0.00679"
                           xFract="-0.0008045"
                           y3="2.09706"
                           yFract="0.24846682"
                           z3="8.42935"
                           zFract="0.37935869"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21791"
                           xFract="0.49975237"
                           y3="-0.0341"
                           yFract="-0.00404028"
                           z3="6.43217"
                           zFract="0.2894766"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07933"
                           xFract="0.24636611"
                           y3="0.01345"
                           yFract="0.0015936"
                           z3="8.46568"
                           zFract="0.3809937"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34247"
                           xFract="0.75147749"
                           y3="0.07407"
                           yFract="0.00877607"
                           z3="8.47737"
                           zFract="0.3815198"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09508"
                           xFract="0.24823223"
                           y3="2.07018"
                           yFract="0.24528199"
                           z3="6.32141"
                           zFract="0.2844919"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02912"
                           xFract="-0.00345024"
                           y3="4.23309"
                           yFract="0.50155095"
                           z3="6.32957"
                           zFract="0.28485914"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14625"
                           xFract="0.49126185"
                           y3="6.31805"
                           yFract="0.74858412"
                           z3="8.49534"
                           zFract="0.38232853"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09167"
                           xFract="0.2478282"
                           y3="4.18468"
                           yFract="0.49581517"
                           z3="8.42206"
                           zFract="0.3790306"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11937"
                           xFract="0.25111019"
                           y3="4.24366"
                           yFract="0.50280332"
                           z3="4.23882"
                           zFract="0.19076598"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32708"
                           xFract="0.74965403"
                           y3="4.13221"
                           yFract="0.48959834"
                           z3="8.4341"
                           zFract="0.37957246"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19898"
                           xFract="0.49750948"
                           y3="2.09925"
                           yFract="0.2487263"
                           z3="8.42114"
                           zFract="0.3789892"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20853"
                           xFract="0.498641"
                           y3="6.33319"
                           yFract="0.75037796"
                           z3="4.27977"
                           zFract="0.19260891"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.0207"
                           xFract="-0.00245261"
                           y3="0.01456"
                           yFract="0.00172512"
                           z3="6.33551"
                           zFract="0.28512646"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35516"
                           xFract="0.75298104"
                           y3="0.01538"
                           yFract="0.00182227"
                           z3="4.28439"
                           zFract="0.19281683"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11303"
                           xFract="0.250359"
                           y3="-0.02892"
                           yFract="-0.00342654"
                           z3="4.24349"
                           zFract="0.19097615"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0246"
                           xFract="0.00291469"
                           y3="6.34571"
                           yFract="0.75186137"
                           z3="4.20159"
                           zFract="0.18909046"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32483"
                           xFract="0.74938744"
                           y3="2.07195"
                           yFract="0.24549171"
                           z3="6.37828"
                           zFract="0.28705131"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11298"
                           xFract="0.01338626"
                           y3="6.3332"
                           yFract="0.75037915"
                           z3="8.41133"
                           zFract="0.3785477"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31241"
                           xFract="0.74791588"
                           y3="4.22915"
                           yFract="0.50108412"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22385"
                           xFract="0.50045616"
                           y3="2.07855"
                           yFract="0.2462737"
                           z3="4.24129"
                           zFract="0.19087714"/>
                     <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="0.05436"
                           xFract="0.00644076"
                           y3="2.12084"
                           yFract="0.25128436"
                           z3="6.34104"
                           zFract="0.28537534"/>
                     <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="2.2496"
                           xFract="0.26654028"
                           y3="-0.03674"
                           yFract="-0.00435308"
                           z3="6.42111"
                           zFract="0.28897885"/>
                     <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="0.04211"
                           xFract="0.00498934"
                           y3="0.17112"
                           yFract="0.02027488"
                           z3="4.22655"
                           zFract="0.19021377"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03502"
                           xFract="-0.00414929"
                           y3="-0.05602"
                           yFract="-0.00663744"
                           z3="8.5732"
                           zFract="0.38583258"/>
                     <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="1.99654"
                           xFract="0.23655687"
                           y3="2.18163"
                           yFract="0.25848697"
                           z3="4.20711"
                           zFract="0.18933888"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08891"
                           xFract="0.24750118"
                           y3="2.09945"
                           yFract="0.24875"
                           z3="8.46639"
                           zFract="0.38102565"/>
                     <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="4.15229"
                           xFract="0.49197749"
                           y3="2.08739"
                           yFract="0.24732109"
                           z3="6.36569"
                           zFract="0.2864847"/>
                     <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="6.15864"
                           xFract="0.72969668"
                           y3="-0.17431"
                           yFract="-0.02065284"
                           z3="6.47009"
                           zFract="0.29118317"/>
                     <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="4.20612"
                           xFract="0.49835545"
                           y3="0.00635"
                           yFract="0.00075237"
                           z3="4.34858"
                           zFract="0.19570567"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21876"
                           xFract="0.49985308"
                           y3="0.00756"
                           yFract="0.00089573"
                           z3="8.57905"
                           zFract="0.38609586"/>
                     <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="6.48129"
                           xFract="0.76792536"
                           y3="2.11571"
                           yFract="0.25067654"
                           z3="4.28708"
                           zFract="0.19293789"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33067"
                           xFract="0.75007938"
                           y3="2.10699"
                           yFract="0.24964336"
                           z3="8.54075"
                           zFract="0.38437219"/>
                     <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="-0.02385"
                           xFract="-0.00282583"
                           y3="6.3411"
                           yFract="0.75131517"
                           z3="6.31304"
                           zFract="0.28411521"/>
                     <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="2.10239"
                           xFract="0.24909834"
                           y3="4.2151"
                           yFract="0.49941943"
                           z3="6.36193"
                           zFract="0.28631548"/>
                     <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="0.02066"
                           xFract="0.00244787"
                           y3="4.08448"
                           yFract="0.48394313"
                           z3="4.27686"
                           zFract="0.19247795"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03256"
                           xFract="-0.00385782"
                           y3="4.26496"
                           yFract="0.50532701"
                           z3="8.46063"
                           zFract="0.38076643"/>
                     <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="2.05479"
                           xFract="0.24345853"
                           y3="6.27687"
                           yFract="0.74370498"
                           z3="4.31726"
                           zFract="0.19429613"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14159"
                           xFract="0.25374289"
                           y3="6.3173"
                           yFract="0.74849526"
                           z3="8.57066"
                           zFract="0.38571827"/>
                     <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="4.25359"
                           xFract="0.50397986"
                           y3="6.31881"
                           yFract="0.74867417"
                           z3="6.47689"
                           zFract="0.2914892"/>
                     <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="6.31064"
                           xFract="0.74770616"
                           y3="4.37377"
                           yFract="0.51821919"
                           z3="6.41034"
                           zFract="0.28849415"/>
                     <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="4.20222"
                           xFract="0.49789336"
                           y3="4.17694"
                           yFract="0.4948981"
                           z3="4.31072"
                           zFract="0.1940018"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2197"
                           xFract="0.49996445"
                           y3="4.19142"
                           yFract="0.49661374"
                           z3="8.55469"
                           zFract="0.38499955"/>
                     <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="6.41322"
                           xFract="0.75986019"
                           y3="6.34129"
                           yFract="0.75133768"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20164"
                           xFract="0.73479147"
                           y3="6.31544"
                           yFract="0.74827488"
                           z3="9.10331"
                           zFract="0.40968992"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34671"
                           xFract="0.75197986"
                           y3="6.31174"
                           yFract="0.74783649"
                           z3="10.0695"
                           zFract="0.45317282"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21583"
                           xFract="0.49950592"
                           y3="4.2105"
                           yFract="0.49887441"
                           z3="6.39812"
                           zFract="0.28794419"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31843"
                           xFract="0.74862915"
                           y3="6.34454"
                           yFract="0.75172275"
                           z3="6.26282"
                           zFract="0.28185509"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11863"
                           xFract="0.25102251"
                           y3="6.31901"
                           yFract="0.74869787"
                           z3="6.36788"
                           zFract="0.28658326"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02809"
                           xFract="0.0033282"
                           y3="2.12484"
                           yFract="0.25175829"
                           z3="4.2299"
                           zFract="0.19036454"/>
                     <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="-0.00771"
                           xFract="-0.00091351"
                           y3="2.0971"
                           yFract="0.24847156"
                           z3="8.42987"
                           zFract="0.37938209"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21651"
                           xFract="0.49958649"
                           y3="-0.0336"
                           yFract="-0.00398104"
                           z3="6.43252"
                           zFract="0.28949235"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07873"
                           xFract="0.24629502"
                           y3="0.01331"
                           yFract="0.00157701"
                           z3="8.46559"
                           zFract="0.38098965"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34229"
                           xFract="0.75145616"
                           y3="0.07428"
                           yFract="0.00880095"
                           z3="8.47918"
                           zFract="0.38160126"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09544"
                           xFract="0.24827488"
                           y3="2.07021"
                           yFract="0.24528555"
                           z3="6.32175"
                           zFract="0.2845072"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.02961"
                           xFract="-0.00350829"
                           y3="4.23255"
                           yFract="0.50148697"
                           z3="6.33066"
                           zFract="0.28490819"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14633"
                           xFract="0.49127133"
                           y3="6.31769"
                           yFract="0.74854147"
                           z3="8.49692"
                           zFract="0.38239964"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09154"
                           xFract="0.2478128"
                           y3="4.1846"
                           yFract="0.49580569"
                           z3="8.42213"
                           zFract="0.37903375"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11967"
                           xFract="0.25114573"
                           y3="4.24367"
                           yFract="0.5028045"
                           z3="4.23905"
                           zFract="0.19077633"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32658"
                           xFract="0.74959479"
                           y3="4.13235"
                           yFract="0.48961493"
                           z3="8.43523"
                           zFract="0.37962331"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19888"
                           xFract="0.49749763"
                           y3="2.09964"
                           yFract="0.24877251"
                           z3="8.42149"
                           zFract="0.37900495"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20886"
                           xFract="0.49868009"
                           y3="6.33315"
                           yFract="0.75037322"
                           z3="4.2805"
                           zFract="0.19264176"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02096"
                           xFract="-0.00248341"
                           y3="0.01435"
                           yFract="0.00170024"
                           z3="6.33631"
                           zFract="0.28516247"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35517"
                           xFract="0.75298223"
                           y3="0.01552"
                           yFract="0.00183886"
                           z3="4.28434"
                           zFract="0.19281458"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11303"
                           xFract="0.250359"
                           y3="-0.02946"
                           yFract="-0.00349052"
                           z3="4.24364"
                           zFract="0.1909829"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02428"
                           xFract="0.00287678"
                           y3="6.34578"
                           yFract="0.75186967"
                           z3="4.20201"
                           zFract="0.18910936"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3248"
                           xFract="0.74938389"
                           y3="2.07243"
                           yFract="0.24554858"
                           z3="6.37963"
                           zFract="0.28711206"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11294"
                           xFract="0.01338152"
                           y3="6.33305"
                           yFract="0.75036137"
                           z3="8.4130"
                           zFract="0.37862286"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31245"
                           xFract="0.74792062"
                           y3="4.22856"
                           yFract="0.50101422"
                           z3="4.23821"
                           zFract="0.19073852"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22489"
                           xFract="0.50057938"
                           y3="2.07818"
                           yFract="0.24622986"
                           z3="4.24181"
                           zFract="0.19090054"/>
                     <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="0.05362"
                           xFract="0.00635308"
                           y3="2.11959"
                           yFract="0.25113626"
                           z3="6.34135"
                           zFract="0.28538929"/>
                     <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="2.25119"
                           xFract="0.26672867"
                           y3="-0.03678"
                           yFract="-0.00435782"
                           z3="6.42194"
                           zFract="0.2890162"/>
                     <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="0.04126"
                           xFract="0.00488863"
                           y3="0.17068"
                           yFract="0.02022275"
                           z3="4.22718"
                           zFract="0.19024212"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03497"
                           xFract="-0.00414336"
                           y3="-0.05665"
                           yFract="-0.00671209"
                           z3="8.57346"
                           zFract="0.38584428"/>
                     <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="1.99764"
                           xFract="0.2366872"
                           y3="2.1809"
                           yFract="0.25840047"
                           z3="4.20768"
                           zFract="0.18936454"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08853"
                           xFract="0.24745616"
                           y3="2.09931"
                           yFract="0.24873341"
                           z3="8.46729"
                           zFract="0.38106616"/>
                     <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="4.15318"
                           xFract="0.49208294"
                           y3="2.08685"
                           yFract="0.24725711"
                           z3="6.36627"
                           zFract="0.2865108"/>
                     <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="6.1581"
                           xFract="0.7296327"
                           y3="-0.17398"
                           yFract="-0.02061374"
                           z3="6.47294"
                           zFract="0.29131143"/>
                     <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="4.20711"
                           xFract="0.49847275"
                           y3="0.00629"
                           yFract="0.00074526"
                           z3="4.34956"
                           zFract="0.19574977"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21869"
                           xFract="0.49984479"
                           y3="0.00678"
                           yFract="0.00080332"
                           z3="8.58044"
                           zFract="0.38615842"/>
                     <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="6.48109"
                           xFract="0.76790166"
                           y3="2.11529"
                           yFract="0.25062678"
                           z3="4.28693"
                           zFract="0.19293114"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33083"
                           xFract="0.75009834"
                           y3="2.10621"
                           yFract="0.24955095"
                           z3="8.54297"
                           zFract="0.3844721"/>
                     <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="-0.02357"
                           xFract="-0.00279265"
                           y3="6.34135"
                           yFract="0.75134479"
                           z3="6.31477"
                           zFract="0.28419307"/>
                     <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="2.10207"
                           xFract="0.24906043"
                           y3="4.21495"
                           yFract="0.49940166"
                           z3="6.36268"
                           zFract="0.28634923"/>
                     <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="0.02126"
                           xFract="0.00251896"
                           y3="4.08458"
                           yFract="0.48395498"
                           z3="4.27683"
                           zFract="0.1924766"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03255"
                           xFract="-0.00385664"
                           y3="4.26507"
                           yFract="0.50534005"
                           z3="8.46165"
                           zFract="0.38081233"/>
                     <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="2.05482"
                           xFract="0.24346209"
                           y3="6.27682"
                           yFract="0.74369905"
                           z3="4.31824"
                           zFract="0.19434023"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14017"
                           xFract="0.25357464"
                           y3="6.31728"
                           yFract="0.74849289"
                           z3="8.57226"
                           zFract="0.38579028"/>
                     <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="4.25346"
                           xFract="0.50396445"
                           y3="6.31929"
                           yFract="0.74873104"
                           z3="6.4792"
                           zFract="0.29159316"/>
                     <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="4.37411"
                           yFract="0.51825948"
                           z3="6.41231"
                           zFract="0.28858281"/>
                     <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="4.20188"
                           xFract="0.49785308"
                           y3="4.17704"
                           yFract="0.49490995"
                           z3="4.31118"
                           zFract="0.1940225"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21935"
                           xFract="0.49992299"
                           y3="4.19218"
                           yFract="0.49670379"
                           z3="8.55612"
                           zFract="0.38506391"/>
                     <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="6.41371"
                           xFract="0.75991825"
                           y3="6.34083"
                           yFract="0.75128318"
                           z3="4.22847"
                           zFract="0.19030018"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20112"
                           xFract="0.73472986"
                           y3="6.31527"
                           yFract="0.74825474"
                           z3="9.10204"
                           zFract="0.40963276"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34561"
                           xFract="0.75184953"
                           y3="6.31081"
                           yFract="0.7477263"
                           z3="10.07388"
                           zFract="0.45336994"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21577"
                           xFract="0.49949882"
                           y3="4.21011"
                           yFract="0.4988282"
                           z3="6.39863"
                           zFract="0.28796715"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31853"
                           xFract="0.748641"
                           y3="6.34414"
                           yFract="0.75167536"
                           z3="6.26371"
                           zFract="0.28189514"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11881"
                           xFract="0.25104384"
                           y3="6.31898"
                           yFract="0.74869431"
                           z3="6.3688"
                           zFract="0.28662466"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02634"
                           xFract="0.00312085"
                           y3="2.12535"
                           yFract="0.25181872"
                           z3="4.23094"
                           zFract="0.19041134"/>
                     <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="-0.00861"
                           xFract="-0.00102014"
                           y3="2.09714"
                           yFract="0.2484763"
                           z3="8.4304"
                           zFract="0.37940594"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21512"
                           xFract="0.4994218"
                           y3="-0.03312"
                           yFract="-0.00392417"
                           z3="6.43286"
                           zFract="0.28950765"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07814"
                           xFract="0.24622512"
                           y3="0.01318"
                           yFract="0.00156161"
                           z3="8.4655"
                           zFract="0.3809856"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34211"
                           xFract="0.75143483"
                           y3="0.07448"
                           yFract="0.00882464"
                           z3="8.48096"
                           zFract="0.38168137"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09578"
                           xFract="0.24831517"
                           y3="2.07023"
                           yFract="0.24528791"
                           z3="6.32209"
                           zFract="0.2845225"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03008"
                           xFract="-0.00356398"
                           y3="4.23202"
                           yFract="0.50142417"
                           z3="6.33173"
                           zFract="0.28495635"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1464"
                           xFract="0.49127962"
                           y3="6.31734"
                           yFract="0.7485"
                           z3="8.49849"
                           zFract="0.3824703"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09141"
                           xFract="0.24779739"
                           y3="4.18451"
                           yFract="0.49579502"
                           z3="8.4222"
                           zFract="0.3790369"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11998"
                           xFract="0.25118246"
                           y3="4.24367"
                           yFract="0.5028045"
                           z3="4.23928"
                           zFract="0.19078668"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32609"
                           xFract="0.74953673"
                           y3="4.13249"
                           yFract="0.48963152"
                           z3="8.43633"
                           zFract="0.37967282"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19878"
                           xFract="0.49748578"
                           y3="2.10003"
                           yFract="0.24881872"
                           z3="8.42184"
                           zFract="0.3790207"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2092"
                           xFract="0.49872038"
                           y3="6.33311"
                           yFract="0.75036848"
                           z3="4.28121"
                           zFract="0.19267372"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02122"
                           xFract="-0.00251422"
                           y3="0.01414"
                           yFract="0.00167536"
                           z3="6.33709"
                           zFract="0.28519757"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35519"
                           xFract="0.7529846"
                           y3="0.01566"
                           yFract="0.00185545"
                           z3="4.28428"
                           zFract="0.19281188"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11304"
                           xFract="0.25036019"
                           y3="-0.02999"
                           yFract="-0.00355332"
                           z3="4.24378"
                           zFract="0.1909892"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02397"
                           xFract="0.00284005"
                           y3="6.34584"
                           yFract="0.75187678"
                           z3="4.20243"
                           zFract="0.18912826"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32477"
                           xFract="0.74938033"
                           y3="2.07292"
                           yFract="0.24560664"
                           z3="6.38097"
                           zFract="0.28717237"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.1129"
                           xFract="0.01337678"
                           y3="6.33291"
                           yFract="0.75034479"
                           z3="8.41464"
                           zFract="0.37869667"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3125"
                           xFract="0.74792654"
                           y3="4.22798"
                           yFract="0.5009455"
                           z3="4.23887"
                           zFract="0.19076823"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22592"
                           xFract="0.50070142"
                           y3="2.07782"
                           yFract="0.2461872"
                           z3="4.24232"
                           zFract="0.19092349"/>
                     <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="0.05288"
                           xFract="0.0062654"
                           y3="2.11836"
                           yFract="0.25099052"
                           z3="6.34166"
                           zFract="0.28540324"/>
                     <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="2.25276"
                           xFract="0.26691469"
                           y3="-0.03682"
                           yFract="-0.00436256"
                           z3="6.42276"
                           zFract="0.28905311"/>
                     <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="0.04042"
                           xFract="0.0047891"
                           y3="0.17026"
                           yFract="0.02017299"
                           z3="4.22781"
                           zFract="0.19027048"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03491"
                           xFract="-0.00413626"
                           y3="-0.05727"
                           yFract="-0.00678555"
                           z3="8.57371"
                           zFract="0.38585554"/>
                     <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="1.99872"
                           xFract="0.23681517"
                           y3="2.18017"
                           yFract="0.25831398"
                           z3="4.20825"
                           zFract="0.18939019"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08816"
                           xFract="0.24741232"
                           y3="2.09918"
                           yFract="0.24871801"
                           z3="8.46818"
                           zFract="0.38110621"/>
                     <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="4.15405"
                           xFract="0.49218602"
                           y3="2.08632"
                           yFract="0.24719431"
                           z3="6.36685"
                           zFract="0.2865369"/>
                     <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="6.15756"
                           xFract="0.72956872"
                           y3="-0.17365"
                           yFract="-0.02057464"
                           z3="6.47575"
                           zFract="0.29143789"/>
                     <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="4.20809"
                           xFract="0.49858886"
                           y3="0.00623"
                           yFract="0.00073815"
                           z3="4.35054"
                           zFract="0.19579388"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21862"
                           xFract="0.49983649"
                           y3="0.00601"
                           yFract="0.00071209"
                           z3="8.58181"
                           zFract="0.38622007"/>
                     <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="6.48089"
                           xFract="0.76787796"
                           y3="2.11488"
                           yFract="0.2505782"
                           z3="4.28679"
                           zFract="0.19292484"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33099"
                           xFract="0.7501173"
                           y3="2.10544"
                           yFract="0.24945972"
                           z3="8.54516"
                           zFract="0.38457066"/>
                     <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="-0.02329"
                           xFract="-0.00275948"
                           y3="6.3416"
                           yFract="0.75137441"
                           z3="6.31648"
                           zFract="0.28427003"/>
                     <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="2.10175"
                           xFract="0.24902251"
                           y3="4.2148"
                           yFract="0.49938389"
                           z3="6.36343"
                           zFract="0.28638299"/>
                     <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="0.02185"
                           xFract="0.00258886"
                           y3="4.08468"
                           yFract="0.48396682"
                           z3="4.27681"
                           zFract="0.1924757"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03254"
                           xFract="-0.00385545"
                           y3="4.26518"
                           yFract="0.50535308"
                           z3="8.46266"
                           zFract="0.38085779"/>
                     <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="2.05484"
                           xFract="0.24346445"
                           y3="6.27678"
                           yFract="0.74369431"
                           z3="4.3192"
                           zFract="0.19438344"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13877"
                           xFract="0.25340877"
                           y3="6.31726"
                           yFract="0.74849052"
                           z3="8.57385"
                           zFract="0.38586184"/>
                     <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="4.25334"
                           xFract="0.50395024"
                           y3="6.31977"
                           yFract="0.74878791"
                           z3="6.48148"
                           zFract="0.29169577"/>
                     <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="6.31118"
                           xFract="0.74777014"
                           y3="4.37444"
                           yFract="0.51829858"
                           z3="6.41426"
                           zFract="0.28867057"/>
                     <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="4.20154"
                           xFract="0.4978128"
                           y3="4.17714"
                           yFract="0.4949218"
                           z3="4.31164"
                           zFract="0.1940432"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2190"
                           xFract="0.49988152"
                           y3="4.19292"
                           yFract="0.49679147"
                           z3="8.55752"
                           zFract="0.38512691"/>
                     <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="6.41419"
                           xFract="0.75997512"
                           y3="6.34038"
                           yFract="0.75122986"
                           z3="4.22931"
                           zFract="0.19033798"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2006"
                           xFract="0.73466825"
                           y3="6.31511"
                           yFract="0.74823578"
                           z3="9.1008"
                           zFract="0.40957696"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3446"
                           xFract="0.75172986"
                           y3="6.31021"
                           yFract="0.74765521"
                           z3="10.07447"
                           zFract="0.45339649"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2157"
                           xFract="0.49949052"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="6.39884"
                           zFract="0.2879766"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31861"
                           xFract="0.74865047"
                           y3="6.34383"
                           yFract="0.75163863"
                           z3="6.26432"
                           zFract="0.28192259"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11896"
                           xFract="0.25106161"
                           y3="6.31905"
                           yFract="0.74870261"
                           z3="6.3695"
                           zFract="0.28665617"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02501"
                           xFract="0.00296327"
                           y3="2.12586"
                           yFract="0.25187915"
                           z3="4.23177"
                           zFract="0.19044869"/>
                     <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="-0.00931"
                           xFract="-0.00110308"
                           y3="2.09718"
                           yFract="0.24848104"
                           z3="8.43066"
                           zFract="0.37941764"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21394"
                           xFract="0.49928199"
                           y3="-0.03264"
                           yFract="-0.0038673"
                           z3="6.43314"
                           zFract="0.28952025"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07762"
                           xFract="0.24616351"
                           y3="0.01301"
                           yFract="0.00154147"
                           z3="8.46544"
                           zFract="0.3809829"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34198"
                           xFract="0.75141943"
                           y3="0.07448"
                           yFract="0.00882464"
                           z3="8.48207"
                           zFract="0.38173132"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09606"
                           xFract="0.24834834"
                           y3="2.07026"
                           yFract="0.24529147"
                           z3="6.32233"
                           zFract="0.2845333"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03047"
                           xFract="-0.00361019"
                           y3="4.2316"
                           yFract="0.50137441"
                           z3="6.33264"
                           zFract="0.2849973"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14647"
                           xFract="0.49128791"
                           y3="6.31702"
                           yFract="0.74846209"
                           z3="8.49942"
                           zFract="0.38251215"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09125"
                           xFract="0.24777844"
                           y3="4.18458"
                           yFract="0.49580332"
                           z3="8.42216"
                           zFract="0.3790351"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12025"
                           xFract="0.25121445"
                           y3="4.24361"
                           yFract="0.50279739"
                           z3="4.23944"
                           zFract="0.19079388"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32575"
                           xFract="0.74949645"
                           y3="4.13277"
                           yFract="0.48966469"
                           z3="8.43705"
                           zFract="0.37970522"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19877"
                           xFract="0.4974846"
                           y3="2.10035"
                           yFract="0.24885664"
                           z3="8.42207"
                           zFract="0.37903105"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.20945"
                           xFract="0.49875"
                           y3="6.3332"
                           yFract="0.75037915"
                           z3="4.28158"
                           zFract="0.19269037"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02135"
                           xFract="-0.00252962"
                           y3="0.01401"
                           yFract="0.00165995"
                           z3="6.33759"
                           zFract="0.28522007"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35529"
                           xFract="0.75299645"
                           y3="0.01586"
                           yFract="0.00187915"
                           z3="4.28425"
                           zFract="0.19281053"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11298"
                           xFract="0.25035308"
                           y3="-0.03033"
                           yFract="-0.0035936"
                           z3="4.24387"
                           zFract="0.19099325"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0237"
                           xFract="0.00280806"
                           y3="6.34601"
                           yFract="0.75189692"
                           z3="4.20254"
                           zFract="0.18913321"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32465"
                           xFract="0.74936611"
                           y3="2.0732"
                           yFract="0.24563981"
                           z3="6.38184"
                           zFract="0.28721152"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11289"
                           xFract="0.01337559"
                           y3="6.33286"
                           yFract="0.75033886"
                           z3="8.41572"
                           zFract="0.37874527"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31242"
                           xFract="0.74791706"
                           y3="4.22752"
                           yFract="0.500891"
                           z3="4.23933"
                           zFract="0.19078893"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22667"
                           xFract="0.50079028"
                           y3="2.07745"
                           yFract="0.24614336"
                           z3="4.24269"
                           zFract="0.19094014"/>
                     <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="2.11725"
                           yFract="0.250859"
                           z3="6.34198"
                           zFract="0.28541764"/>
                     <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="2.25412"
                           xFract="0.26707583"
                           y3="-0.03693"
                           yFract="-0.00437559"
                           z3="6.42339"
                           zFract="0.28908146"/>
                     <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="0.03981"
                           xFract="0.00471682"
                           y3="0.17014"
                           yFract="0.02015877"
                           z3="4.22823"
                           zFract="0.19028938"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0349"
                           xFract="-0.00413507"
                           y3="-0.05789"
                           yFract="-0.006859"
                           z3="8.57386"
                           zFract="0.38586229"/>
                     <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="1.99949"
                           xFract="0.2369064"
                           y3="2.17953"
                           yFract="0.25823815"
                           z3="4.20876"
                           zFract="0.18941314"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08777"
                           xFract="0.24736611"
                           y3="2.09908"
                           yFract="0.24870616"
                           z3="8.4691"
                           zFract="0.38114761"/>
                     <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="4.15471"
                           xFract="0.49226422"
                           y3="2.08587"
                           yFract="0.247141"
                           z3="6.36723"
                           zFract="0.28655401"/>
                     <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="6.15709"
                           xFract="0.72951303"
                           y3="-0.17347"
                           yFract="-0.02055332"
                           z3="6.47786"
                           zFract="0.29153285"/>
                     <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="4.20877"
                           xFract="0.49866943"
                           y3="0.00642"
                           yFract="0.00076066"
                           z3="4.3512"
                           zFract="0.19582358"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21856"
                           xFract="0.49982938"
                           y3="0.00534"
                           yFract="0.0006327"
                           z3="8.58282"
                           zFract="0.38626553"/>
                     <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="6.4810"
                           xFract="0.767891"
                           y3="2.1146"
                           yFract="0.25054502"
                           z3="4.28669"
                           zFract="0.19292034"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33128"
                           xFract="0.75015166"
                           y3="2.10484"
                           yFract="0.24938863"
                           z3="8.54654"
                           zFract="0.38463276"/>
                     <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="-0.02318"
                           xFract="-0.00274645"
                           y3="6.34193"
                           yFract="0.75141351"
                           z3="6.31744"
                           zFract="0.28431323"/>
                     <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="4.21472"
                           yFract="0.49937441"
                           z3="6.36399"
                           zFract="0.28640819"/>
                     <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="0.02238"
                           xFract="0.00265166"
                           y3="4.08476"
                           yFract="0.4839763"
                           z3="4.27671"
                           zFract="0.1924712"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03259"
                           xFract="-0.00386137"
                           y3="4.26541"
                           yFract="0.50538033"
                           z3="8.46325"
                           zFract="0.38088434"/>
                     <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="2.05471"
                           xFract="0.24344905"
                           y3="6.27661"
                           yFract="0.74367417"
                           z3="4.31998"
                           zFract="0.19441854"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13785"
                           xFract="0.25329976"
                           y3="6.31725"
                           yFract="0.74848934"
                           z3="8.57504"
                           zFract="0.38591539"/>
                     <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="4.25323"
                           xFract="0.5039372"
                           y3="6.31993"
                           yFract="0.74880687"
                           z3="6.48298"
                           zFract="0.29176328"/>
                     <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="4.37489"
                           yFract="0.5183519"
                           z3="6.41578"
                           zFract="0.28873897"/>
                     <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="4.20116"
                           xFract="0.49776777"
                           y3="4.17695"
                           yFract="0.49489929"
                           z3="4.31194"
                           zFract="0.19405671"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21877"
                           xFract="0.49985427"
                           y3="4.19356"
                           yFract="0.4968673"
                           z3="8.55848"
                           zFract="0.38517012"/>
                     <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="6.4146"
                           xFract="0.7600237"
                           y3="6.34005"
                           yFract="0.75119076"
                           z3="4.22986"
                           zFract="0.19036274"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20059"
                           xFract="0.73466706"
                           y3="6.3150"
                           yFract="0.74822275"
                           z3="9.10252"
                           zFract="0.40965437"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.34157"
                           xFract="0.75137085"
                           y3="6.30842"
                           yFract="0.74744313"
                           z3="10.07624"
                           zFract="0.45347615"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21552"
                           xFract="0.49946919"
                           y3="4.20855"
                           yFract="0.49864336"
                           z3="6.39946"
                           zFract="0.2880045"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31885"
                           xFract="0.74867891"
                           y3="6.34292"
                           yFract="0.75153081"
                           z3="6.26613"
                           zFract="0.28200405"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11939"
                           xFract="0.25111256"
                           y3="6.31925"
                           yFract="0.7487263"
                           z3="6.37161"
                           zFract="0.28675113"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0210"
                           xFract="0.00248815"
                           y3="2.12741"
                           yFract="0.2520628"
                           z3="4.23427"
                           zFract="0.19056121"/>
                     <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="-0.0114"
                           xFract="-0.00135071"
                           y3="2.09727"
                           yFract="0.24849171"
                           z3="8.43145"
                           zFract="0.3794532"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21041"
                           xFract="0.49886374"
                           y3="-0.0312"
                           yFract="-0.00369668"
                           z3="6.43396"
                           zFract="0.28955716"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07604"
                           xFract="0.2459763"
                           y3="0.0125"
                           yFract="0.00148104"
                           z3="8.46526"
                           zFract="0.3809748"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3416"
                           xFract="0.75137441"
                           y3="0.07447"
                           yFract="0.00882346"
                           z3="8.48538"
                           zFract="0.38188029"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09689"
                           xFract="0.24844668"
                           y3="2.07033"
                           yFract="0.24529976"
                           z3="6.32304"
                           zFract="0.28456526"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03162"
                           xFract="-0.00374645"
                           y3="4.23033"
                           yFract="0.50122393"
                           z3="6.33539"
                           zFract="0.28512106"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14668"
                           xFract="0.4913128"
                           y3="6.31608"
                           yFract="0.74835071"
                           z3="8.50221"
                           zFract="0.38263771"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09079"
                           xFract="0.24772393"
                           y3="4.18478"
                           yFract="0.49582701"
                           z3="8.42204"
                           zFract="0.3790297"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12107"
                           xFract="0.25131161"
                           y3="4.24341"
                           yFract="0.5027737"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3247"
                           xFract="0.74937204"
                           y3="4.13362"
                           yFract="0.4897654"
                           z3="8.43921"
                           zFract="0.37980243"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19875"
                           xFract="0.49748223"
                           y3="2.10129"
                           yFract="0.24896801"
                           z3="8.42277"
                           zFract="0.37906256"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2102"
                           xFract="0.49883886"
                           y3="6.33348"
                           yFract="0.75041232"
                           z3="4.2827"
                           zFract="0.19274077"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02174"
                           xFract="-0.00257583"
                           y3="0.01362"
                           yFract="0.00161374"
                           z3="6.33909"
                           zFract="0.28528758"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35559"
                           xFract="0.75303199"
                           y3="0.01647"
                           yFract="0.00195142"
                           z3="4.28417"
                           zFract="0.19280693"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11281"
                           xFract="0.25033294"
                           y3="-0.03135"
                           yFract="-0.00371445"
                           z3="4.24413"
                           zFract="0.19100495"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0229"
                           xFract="0.00271327"
                           y3="6.3465"
                           yFract="0.75195498"
                           z3="4.2029"
                           zFract="0.18914941"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32429"
                           xFract="0.74932346"
                           y3="2.07406"
                           yFract="0.24574171"
                           z3="6.38445"
                           zFract="0.28732898"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11287"
                           xFract="0.01337322"
                           y3="6.3327"
                           yFract="0.75031991"
                           z3="8.41893"
                           zFract="0.37888974"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31218"
                           xFract="0.74788863"
                           y3="4.22615"
                           yFract="0.50072867"
                           z3="4.24069"
                           zFract="0.19085014"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.22894"
                           xFract="0.50105924"
                           y3="2.07632"
                           yFract="0.24600948"
                           z3="4.24378"
                           zFract="0.1909892"/>
                     <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="0.05079"
                           xFract="0.00601777"
                           y3="2.1139"
                           yFract="0.25046209"
                           z3="6.34294"
                           zFract="0.28546085"/>
                     <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="2.25821"
                           xFract="0.26756043"
                           y3="-0.03725"
                           yFract="-0.00441351"
                           z3="6.42526"
                           zFract="0.28916562"/>
                     <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="0.03801"
                           xFract="0.00450355"
                           y3="0.16979"
                           yFract="0.0201173"
                           z3="4.22949"
                           zFract="0.19034608"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03484"
                           xFract="-0.00412796"
                           y3="-0.05974"
                           yFract="-0.0070782"
                           z3="8.57432"
                           zFract="0.38588299"/>
                     <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="2.00177"
                           xFract="0.23717654"
                           y3="2.17758"
                           yFract="0.25800711"
                           z3="4.21028"
                           zFract="0.18948155"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08659"
                           xFract="0.2472263"
                           y3="2.09881"
                           yFract="0.24867417"
                           z3="8.47185"
                           zFract="0.38127138"/>
                     <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="4.15668"
                           xFract="0.49249763"
                           y3="2.0845"
                           yFract="0.24697867"
                           z3="6.36838"
                           zFract="0.28660576"/>
                     <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="6.15566"
                           xFract="0.7293436"
                           y3="-0.17295"
                           yFract="-0.02049171"
                           z3="6.48419"
                           zFract="0.29181773"/>
                     <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="4.21083"
                           xFract="0.49891351"
                           y3="0.00696"
                           yFract="0.00082464"
                           z3="4.35319"
                           zFract="0.19591314"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21838"
                           xFract="0.49980806"
                           y3="0.00332"
                           yFract="0.00039336"
                           z3="8.58584"
                           zFract="0.38640144"/>
                     <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="6.48135"
                           xFract="0.76793246"
                           y3="2.11374"
                           yFract="0.25044313"
                           z3="4.2864"
                           zFract="0.19290729"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33214"
                           xFract="0.75025355"
                           y3="2.10304"
                           yFract="0.24917536"
                           z3="8.55068"
                           zFract="0.38481908"/>
                     <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="-0.02285"
                           xFract="-0.00270735"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="6.32031"
                           zFract="0.28444239"/>
                     <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="2.10029"
                           xFract="0.24884953"
                           y3="4.21448"
                           yFract="0.49934597"
                           z3="6.36567"
                           zFract="0.2864838"/>
                     <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="0.02397"
                           xFract="0.00284005"
                           y3="4.08501"
                           yFract="0.48400592"
                           z3="4.27643"
                           zFract="0.1924586"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03274"
                           xFract="-0.00387915"
                           y3="4.26611"
                           yFract="0.50546327"
                           z3="8.4650"
                           zFract="0.3809631"/>
                     <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="2.05434"
                           xFract="0.24340521"
                           y3="6.27611"
                           yFract="0.74361493"
                           z3="4.3223"
                           zFract="0.19452295"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13511"
                           xFract="0.25297512"
                           y3="6.31721"
                           yFract="0.7484846"
                           z3="8.57863"
                           zFract="0.38607696"/>
                     <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="4.2529"
                           xFract="0.5038981"
                           y3="6.32042"
                           yFract="0.74886493"
                           z3="6.48748"
                           zFract="0.2919658"/>
                     <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="6.31255"
                           xFract="0.74793246"
                           y3="4.37623"
                           yFract="0.51851066"
                           z3="6.42033"
                           zFract="0.28894374"/>
                     <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="4.20001"
                           xFract="0.49763152"
                           y3="4.17639"
                           yFract="0.49483294"
                           z3="4.31285"
                           zFract="0.19409766"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21805"
                           xFract="0.49976896"
                           y3="4.19545"
                           yFract="0.49709123"
                           z3="8.56136"
                           zFract="0.38529973"/>
                     <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="6.41585"
                           xFract="0.7601718"
                           y3="6.33908"
                           yFract="0.75107583"
                           z3="4.23149"
                           zFract="0.19043609"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20056"
                           xFract="0.73466351"
                           y3="6.31468"
                           yFract="0.74818483"
                           z3="9.10768"
                           zFract="0.40988659"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33551"
                           xFract="0.75065284"
                           y3="6.30483"
                           yFract="0.74701777"
                           z3="10.07979"
                           zFract="0.45363591"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21515"
                           xFract="0.49942536"
                           y3="4.20619"
                           yFract="0.49836374"
                           z3="6.40072"
                           zFract="0.28806121"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31933"
                           xFract="0.74873578"
                           y3="6.3411"
                           yFract="0.75131517"
                           z3="6.26975"
                           zFract="0.28216697"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.12025"
                           xFract="0.25121445"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="6.37582"
                           zFract="0.28694059"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01299"
                           xFract="0.0015391"
                           y3="2.13051"
                           yFract="0.25243009"
                           z3="4.23926"
                           zFract="0.19078578"/>
                     <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="-0.01558"
                           xFract="-0.00184597"
                           y3="2.09745"
                           yFract="0.24851303"
                           z3="8.43303"
                           zFract="0.3795243"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20334"
                           xFract="0.49802607"
                           y3="-0.02831"
                           yFract="-0.00335427"
                           z3="6.43561"
                           zFract="0.28963141"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07289"
                           xFract="0.24560308"
                           y3="0.01148"
                           yFract="0.00136019"
                           z3="8.4649"
                           zFract="0.3809586"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34084"
                           xFract="0.75128436"
                           y3="0.07447"
                           yFract="0.00882346"
                           z3="8.49201"
                           zFract="0.38217867"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09856"
                           xFract="0.24864455"
                           y3="2.07048"
                           yFract="0.24531754"
                           z3="6.32447"
                           zFract="0.28462961"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03392"
                           xFract="-0.00401896"
                           y3="4.2278"
                           yFract="0.50092417"
                           z3="6.34089"
                           zFract="0.28536859"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14709"
                           xFract="0.49136137"
                           y3="6.3142"
                           yFract="0.74812796"
                           z3="8.50779"
                           zFract="0.38288884"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08986"
                           xFract="0.24761374"
                           y3="4.18519"
                           yFract="0.49587559"
                           z3="8.42181"
                           zFract="0.37901935"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1227"
                           xFract="0.25150474"
                           y3="4.24301"
                           yFract="0.5027263"
                           z3="4.24086"
                           zFract="0.19085779"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32262"
                           xFract="0.74912559"
                           y3="4.1353"
                           yFract="0.48996445"
                           z3="8.44352"
                           zFract="0.3799964"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19872"
                           xFract="0.49747867"
                           y3="2.10319"
                           yFract="0.24919313"
                           z3="8.42417"
                           zFract="0.37912556"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2117"
                           xFract="0.49901659"
                           y3="6.33402"
                           yFract="0.7504763"
                           z3="4.28493"
                           zFract="0.19284113"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02251"
                           xFract="-0.00266706"
                           y3="0.01284"
                           yFract="0.00152133"
                           z3="6.34208"
                           zFract="0.28542214"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35619"
                           xFract="0.75310308"
                           y3="0.0177"
                           yFract="0.00209716"
                           z3="4.28401"
                           zFract="0.19279973"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11248"
                           xFract="0.25029384"
                           y3="-0.03338"
                           yFract="-0.00395498"
                           z3="4.24466"
                           zFract="0.1910288"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02131"
                           xFract="0.00252488"
                           y3="6.34748"
                           yFract="0.75207109"
                           z3="4.20362"
                           zFract="0.18918182"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32357"
                           xFract="0.74923815"
                           y3="2.07577"
                           yFract="0.24594431"
                           z3="6.38967"
                           zFract="0.28756391"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11282"
                           xFract="0.0133673"
                           y3="6.3324"
                           yFract="0.75028436"
                           z3="8.42536"
                           zFract="0.37917912"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31172"
                           xFract="0.74783412"
                           y3="4.22339"
                           yFract="0.50040166"
                           z3="4.24343"
                           zFract="0.19097345"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23347"
                           xFract="0.50159597"
                           y3="2.07407"
                           yFract="0.24574289"
                           z3="4.24596"
                           zFract="0.19108731"/>
                     <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="0.04765"
                           xFract="0.00564573"
                           y3="2.10721"
                           yFract="0.24966943"
                           z3="6.34486"
                           zFract="0.28554725"/>
                     <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="2.26638"
                           xFract="0.26852844"
                           y3="-0.03789"
                           yFract="-0.00448934"
                           z3="6.4290"
                           zFract="0.28933393"/>
                     <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="0.03439"
                           xFract="0.00407464"
                           y3="0.16909"
                           yFract="0.02003436"
                           z3="4.2320"
                           zFract="0.19045905"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03474"
                           xFract="-0.00411611"
                           y3="-0.06344"
                           yFract="-0.00751659"
                           z3="8.57523"
                           zFract="0.38592394"/>
                     <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="2.00634"
                           xFract="0.23771801"
                           y3="2.17369"
                           yFract="0.25754621"
                           z3="4.21333"
                           zFract="0.18961881"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08424"
                           xFract="0.24694787"
                           y3="2.09826"
                           yFract="0.248609"
                           z3="8.47735"
                           zFract="0.3815189"/>
                     <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="4.16064"
                           xFract="0.49296682"
                           y3="2.08177"
                           yFract="0.24665521"
                           z3="6.37067"
                           zFract="0.28670882"/>
                     <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="6.15281"
                           xFract="0.72900592"
                           y3="-0.17191"
                           yFract="-0.02036848"
                           z3="6.49687"
                           zFract="0.29238839"/>
                     <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="4.21494"
                           xFract="0.49940047"
                           y3="0.00806"
                           yFract="0.00095498"
                           z3="4.35717"
                           zFract="0.19609226"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21803"
                           xFract="0.49976659"
                           y3="-0.0007"
                           yFract="-0.00008294"
                           z3="8.59189"
                           zFract="0.38667372"/>
                     <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="6.48205"
                           xFract="0.7680154"
                           y3="2.11201"
                           yFract="0.25023815"
                           z3="4.28582"
                           zFract="0.19288119"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33388"
                           xFract="0.75045972"
                           y3="2.09945"
                           yFract="0.24875"
                           z3="8.55895"
                           zFract="0.38519127"/>
                     <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="-0.02218"
                           xFract="-0.00262796"
                           y3="6.34491"
                           yFract="0.75176659"
                           z3="6.32605"
                           zFract="0.28470072"/>
                     <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="2.09808"
                           xFract="0.24858768"
                           y3="4.2140"
                           yFract="0.4992891"
                           z3="6.36903"
                           zFract="0.28663501"/>
                     <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="0.02715"
                           xFract="0.00321682"
                           y3="4.08549"
                           yFract="0.4840628"
                           z3="4.27587"
                           zFract="0.19243339"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03305"
                           xFract="-0.00391588"
                           y3="4.26752"
                           yFract="0.50563033"
                           z3="8.46852"
                           zFract="0.38112151"/>
                     <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="2.05359"
                           xFract="0.24331635"
                           y3="6.2751"
                           yFract="0.74349526"
                           z3="4.32693"
                           zFract="0.19473132"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12964"
                           xFract="0.25232701"
                           y3="6.31712"
                           yFract="0.74847393"
                           z3="8.5858"
                           zFract="0.38639964"/>
                     <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="4.25224"
                           xFract="0.50381991"
                           y3="6.32139"
                           yFract="0.74897986"
                           z3="6.49649"
                           zFract="0.29237129"/>
                     <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="4.37892"
                           yFract="0.51882938"
                           z3="6.42945"
                           zFract="0.28935419"/>
                     <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="4.19772"
                           xFract="0.49736019"
                           y3="4.17526"
                           yFract="0.49469905"
                           z3="4.31466"
                           zFract="0.19417912"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21661"
                           xFract="0.49959834"
                           y3="4.19925"
                           yFract="0.49754147"
                           z3="8.56711"
                           zFract="0.38555851"/>
                     <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="6.41834"
                           xFract="0.76046682"
                           y3="6.33713"
                           yFract="0.75084479"
                           z3="4.23476"
                           zFract="0.19058326"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2005"
                           xFract="0.7346564"
                           y3="6.31403"
                           yFract="0.74810782"
                           z3="9.11801"
                           zFract="0.41035149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33989"
                           xFract="0.7511718"
                           y3="6.30743"
                           yFract="0.74732583"
                           z3="10.07722"
                           zFract="0.45352025"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21542"
                           xFract="0.49945735"
                           y3="4.20789"
                           yFract="0.49856517"
                           z3="6.39981"
                           zFract="0.28802025"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31898"
                           xFract="0.74869431"
                           y3="6.34242"
                           yFract="0.75147156"
                           z3="6.26713"
                           zFract="0.28204905"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11963"
                           xFract="0.251141"
                           y3="6.31936"
                           yFract="0.74873934"
                           z3="6.37277"
                           zFract="0.28680333"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01878"
                           xFract="0.00222512"
                           y3="2.12827"
                           yFract="0.25216469"
                           z3="4.23565"
                           zFract="0.19062331"/>
                     <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="-0.01256"
                           xFract="-0.00148815"
                           y3="2.09732"
                           yFract="0.24849763"
                           z3="8.43189"
                           zFract="0.379473"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20845"
                           xFract="0.49863152"
                           y3="-0.0304"
                           yFract="-0.0036019"
                           z3="6.43442"
                           zFract="0.28957786"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07517"
                           xFract="0.24587322"
                           y3="0.01221"
                           yFract="0.00144668"
                           z3="8.46516"
                           zFract="0.3809703"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34139"
                           xFract="0.75134953"
                           y3="0.07447"
                           yFract="0.00882346"
                           z3="8.48722"
                           zFract="0.3819631"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09735"
                           xFract="0.24850118"
                           y3="2.07037"
                           yFract="0.2453045"
                           z3="6.32344"
                           zFract="0.28458326"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03226"
                           xFract="-0.00382227"
                           y3="4.22963"
                           yFract="0.501141"
                           z3="6.33692"
                           zFract="0.28518992"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14679"
                           xFract="0.49132583"
                           y3="6.31556"
                           yFract="0.7482891"
                           z3="8.50375"
                           zFract="0.38270702"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09053"
                           xFract="0.24769313"
                           y3="4.18489"
                           yFract="0.49584005"
                           z3="8.42198"
                           zFract="0.379027"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12152"
                           xFract="0.25136493"
                           y3="4.2433"
                           yFract="0.50276066"
                           z3="4.24018"
                           zFract="0.19082718"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32413"
                           xFract="0.7493045"
                           y3="4.13408"
                           yFract="0.48981991"
                           z3="8.4404"
                           zFract="0.37985599"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19874"
                           xFract="0.49748104"
                           y3="2.10182"
                           yFract="0.24903081"
                           z3="8.42316"
                           zFract="0.37908011"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21061"
                           xFract="0.49888744"
                           y3="6.33363"
                           yFract="0.75043009"
                           z3="4.28332"
                           zFract="0.19276868"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02195"
                           xFract="-0.00260071"
                           y3="0.0134"
                           yFract="0.00158768"
                           z3="6.33992"
                           zFract="0.28532493"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35575"
                           xFract="0.75305095"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="4.28413"
                           zFract="0.19280513"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11272"
                           xFract="0.25032227"
                           y3="-0.03191"
                           yFract="-0.00378081"
                           z3="4.24428"
                           zFract="0.1910117"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02246"
                           xFract="0.00266114"
                           y3="6.34677"
                           yFract="0.75198697"
                           z3="4.2031"
                           zFract="0.18915842"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="2.07453"
                           yFract="0.24579739"
                           z3="6.38589"
                           zFract="0.28739379"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11286"
                           xFract="0.01337204"
                           y3="6.33262"
                           yFract="0.75031043"
                           z3="8.42071"
                           zFract="0.37896985"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31206"
                           xFract="0.74787441"
                           y3="4.22538"
                           yFract="0.50063744"
                           z3="4.24145"
                           zFract="0.19088434"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2302"
                           xFract="0.50120853"
                           y3="2.0757"
                           yFract="0.24593602"
                           z3="4.24439"
                           zFract="0.19101665"/>
                     <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="0.04992"
                           xFract="0.00591469"
                           y3="2.11204"
                           yFract="0.25024171"
                           z3="6.34347"
                           zFract="0.2854847"/>
                     <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="2.26048"
                           xFract="0.26782938"
                           y3="-0.03743"
                           yFract="-0.00443483"
                           z3="6.42629"
                           zFract="0.28921197"/>
                     <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="0.03701"
                           xFract="0.00438507"
                           y3="0.16959"
                           yFract="0.0200936"
                           z3="4.23018"
                           zFract="0.19037714"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03482"
                           xFract="-0.00412559"
                           y3="-0.06077"
                           yFract="-0.00720024"
                           z3="8.57457"
                           zFract="0.38589424"/>
                     <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="2.00304"
                           xFract="0.23732701"
                           y3="2.1765"
                           yFract="0.25787915"
                           z3="4.21113"
                           zFract="0.1895198"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08594"
                           xFract="0.24714929"
                           y3="2.09866"
                           yFract="0.2486564"
                           z3="8.47338"
                           zFract="0.38134023"/>
                     <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="4.15778"
                           xFract="0.49262796"
                           y3="2.08375"
                           yFract="0.24688981"
                           z3="6.36901"
                           zFract="0.28663411"/>
                     <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="6.15487"
                           xFract="0.72925"
                           y3="-0.17266"
                           yFract="-0.02045735"
                           z3="6.48771"
                           zFract="0.29197615"/>
                     <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="4.21197"
                           xFract="0.49904858"
                           y3="0.00727"
                           yFract="0.00086137"
                           z3="4.35429"
                           zFract="0.19596265"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21829"
                           xFract="0.49979739"
                           y3="0.00221"
                           yFract="0.00026185"
                           z3="8.58752"
                           zFract="0.38647705"/>
                     <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="6.48154"
                           xFract="0.76795498"
                           y3="2.11326"
                           yFract="0.25038626"
                           z3="4.28624"
                           zFract="0.19290009"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33262"
                           xFract="0.75031043"
                           y3="2.10205"
                           yFract="0.24905806"
                           z3="8.55297"
                           zFract="0.38492214"/>
                     <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="-0.02266"
                           xFract="-0.00268483"
                           y3="6.34348"
                           yFract="0.75159716"
                           z3="6.3219"
                           zFract="0.28451395"/>
                     <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="2.09968"
                           xFract="0.24877725"
                           y3="4.21435"
                           yFract="0.49933057"
                           z3="6.3666"
                           zFract="0.28652565"/>
                     <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="0.02485"
                           xFract="0.00294431"
                           y3="4.08514"
                           yFract="0.48402133"
                           z3="4.27627"
                           zFract="0.1924514"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03283"
                           xFract="-0.00388981"
                           y3="4.2665"
                           yFract="0.50550948"
                           z3="8.46598"
                           zFract="0.3810072"/>
                     <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="2.05413"
                           xFract="0.24338033"
                           y3="6.27583"
                           yFract="0.74358175"
                           z3="4.32358"
                           zFract="0.19458056"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1336"
                           xFract="0.25279621"
                           y3="6.31718"
                           yFract="0.74848104"
                           z3="8.58062"
                           zFract="0.38616652"/>
                     <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="4.25272"
                           xFract="0.50387678"
                           y3="6.32069"
                           yFract="0.74889692"
                           z3="6.48998"
                           zFract="0.29207831"/>
                     <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="6.31312"
                           xFract="0.7480"
                           y3="4.37698"
                           yFract="0.51859953"
                           z3="6.42286"
                           zFract="0.28905761"/>
                     <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="4.19938"
                           xFract="0.49755687"
                           y3="4.17608"
                           yFract="0.49479621"
                           z3="4.31335"
                           zFract="0.19412016"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21765"
                           xFract="0.49972156"
                           y3="4.19651"
                           yFract="0.49721682"
                           z3="8.56295"
                           zFract="0.38537129"/>
                     <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="6.41654"
                           xFract="0.76025355"
                           y3="6.33854"
                           yFract="0.75101185"
                           z3="4.2324"
                           zFract="0.19047705"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20054"
                           xFract="0.73466114"
                           y3="6.3145"
                           yFract="0.74816351"
                           z3="9.11054"
                           zFract="0.4100153"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33939"
                           xFract="0.75111256"
                           y3="6.30706"
                           yFract="0.74728199"
                           z3="10.07757"
                           zFract="0.453536"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21533"
                           xFract="0.49944668"
                           y3="4.20782"
                           yFract="0.49855687"
                           z3="6.39999"
                           zFract="0.28802835"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31893"
                           xFract="0.74868839"
                           y3="6.34314"
                           yFract="0.75155687"
                           z3="6.26753"
                           zFract="0.28206706"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11959"
                           xFract="0.25113626"
                           y3="6.31942"
                           yFract="0.74874645"
                           z3="6.3735"
                           zFract="0.28683618"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0197"
                           xFract="0.00233412"
                           y3="2.1281"
                           yFract="0.25214455"
                           z3="4.23584"
                           zFract="0.19063186"/>
                     <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="-0.01291"
                           xFract="-0.00152962"
                           y3="2.09728"
                           yFract="0.24849289"
                           z3="8.43215"
                           zFract="0.3794847"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20934"
                           xFract="0.49873697"
                           y3="-0.0305"
                           yFract="-0.00361374"
                           z3="6.4354"
                           zFract="0.28962196"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07485"
                           xFract="0.24583531"
                           y3="0.01197"
                           yFract="0.00141825"
                           z3="8.46573"
                           zFract="0.38099595"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34119"
                           xFract="0.75132583"
                           y3="0.07394"
                           yFract="0.00876066"
                           z3="8.48799"
                           zFract="0.38199775"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09733"
                           xFract="0.24849882"
                           y3="2.07039"
                           yFract="0.24530687"
                           z3="6.32364"
                           zFract="0.28459226"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03237"
                           xFract="-0.00383531"
                           y3="4.22952"
                           yFract="0.50112796"
                           z3="6.33758"
                           zFract="0.28521962"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1465"
                           xFract="0.49129147"
                           y3="6.31554"
                           yFract="0.74828673"
                           z3="8.50442"
                           zFract="0.38273717"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.09023"
                           xFract="0.24765758"
                           y3="4.18514"
                           yFract="0.49586967"
                           z3="8.42228"
                           zFract="0.3790405"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12162"
                           xFract="0.25137678"
                           y3="4.24293"
                           yFract="0.50271682"
                           z3="4.24037"
                           zFract="0.19083573"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32404"
                           xFract="0.74929384"
                           y3="4.13438"
                           yFract="0.48985545"
                           z3="8.44129"
                           zFract="0.37989604"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19879"
                           xFract="0.49748697"
                           y3="2.10174"
                           yFract="0.24902133"
                           z3="8.42373"
                           zFract="0.37910576"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21083"
                           xFract="0.49891351"
                           y3="6.33385"
                           yFract="0.75045616"
                           z3="4.28354"
                           zFract="0.19277858"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02209"
                           xFract="-0.0026173"
                           y3="0.01312"
                           yFract="0.0015545"
                           z3="6.34018"
                           zFract="0.28533663"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35593"
                           xFract="0.75307227"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="4.28444"
                           zFract="0.19281908"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11242"
                           xFract="0.25028673"
                           y3="-0.03205"
                           yFract="-0.00379739"
                           z3="4.24431"
                           zFract="0.19101305"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02248"
                           xFract="0.00266351"
                           y3="6.34695"
                           yFract="0.75200829"
                           z3="4.20318"
                           zFract="0.18916202"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3238"
                           xFract="0.7492654"
                           y3="2.07445"
                           yFract="0.24578791"
                           z3="6.38654"
                           zFract="0.28742304"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11259"
                           xFract="0.01334005"
                           y3="6.33255"
                           yFract="0.75030213"
                           z3="8.42144"
                           zFract="0.3790027"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3118"
                           xFract="0.7478436"
                           y3="4.22522"
                           yFract="0.50061848"
                           z3="4.24172"
                           zFract="0.19089649"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23054"
                           xFract="0.50124882"
                           y3="2.07538"
                           yFract="0.2458981"
                           z3="4.24446"
                           zFract="0.1910198"/>
                     <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="0.04973"
                           xFract="0.00589218"
                           y3="2.11124"
                           yFract="0.25014692"
                           z3="6.34391"
                           zFract="0.2855045"/>
                     <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="2.26097"
                           xFract="0.26788744"
                           y3="-0.03746"
                           yFract="-0.00443839"
                           z3="6.42648"
                           zFract="0.28922052"/>
                     <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="0.03636"
                           xFract="0.00430806"
                           y3="0.16998"
                           yFract="0.02013981"
                           z3="4.23058"
                           zFract="0.19039514"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03494"
                           xFract="-0.00413981"
                           y3="-0.06113"
                           yFract="-0.00724289"
                           z3="8.57462"
                           zFract="0.38589649"/>
                     <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="2.00273"
                           xFract="0.23729028"
                           y3="2.1759"
                           yFract="0.25780806"
                           z3="4.21166"
                           zFract="0.18954365"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08566"
                           xFract="0.24711611"
                           y3="2.09867"
                           yFract="0.24865758"
                           z3="8.47398"
                           zFract="0.38136724"/>
                     <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="4.15802"
                           xFract="0.4926564"
                           y3="2.08354"
                           yFract="0.24686493"
                           z3="6.36941"
                           zFract="0.28665212"/>
                     <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="6.15381"
                           xFract="0.72912441"
                           y3="-0.17301"
                           yFract="-0.02049882"
                           z3="6.48866"
                           zFract="0.2920189"/>
                     <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="4.21253"
                           xFract="0.49911493"
                           y3="0.00751"
                           yFract="0.00088981"
                           z3="4.35462"
                           zFract="0.1959775"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21794"
                           xFract="0.49975592"
                           y3="0.00211"
                           yFract="0.00025"
                           z3="8.58799"
                           zFract="0.3864982"/>
                     <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="6.4815"
                           xFract="0.76795024"
                           y3="2.11345"
                           yFract="0.25040877"
                           z3="4.28629"
                           zFract="0.19290234"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33279"
                           xFract="0.75033057"
                           y3="2.10237"
                           yFract="0.24909597"
                           z3="8.55373"
                           zFract="0.38495635"/>
                     <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="-0.02273"
                           xFract="-0.00269313"
                           y3="6.34392"
                           yFract="0.75164929"
                           z3="6.32189"
                           zFract="0.2845135"/>
                     <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="2.09932"
                           xFract="0.2487346"
                           y3="4.21412"
                           yFract="0.49930332"
                           z3="6.36689"
                           zFract="0.2865387"/>
                     <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="0.02482"
                           xFract="0.00294076"
                           y3="4.08537"
                           yFract="0.48404858"
                           z3="4.27664"
                           zFract="0.19246805"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03311"
                           xFract="-0.00392299"
                           y3="4.26664"
                           yFract="0.50552607"
                           z3="8.46612"
                           zFract="0.3810135"/>
                     <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="2.05383"
                           xFract="0.24334479"
                           y3="6.27585"
                           yFract="0.74358412"
                           z3="4.3242"
                           zFract="0.19460846"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13394"
                           xFract="0.25283649"
                           y3="6.31708"
                           yFract="0.74846919"
                           z3="8.58132"
                           zFract="0.38619802"/>
                     <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="4.25267"
                           xFract="0.50387085"
                           y3="6.32039"
                           yFract="0.74886137"
                           z3="6.4903"
                           zFract="0.29209271"/>
                     <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="6.31339"
                           xFract="0.74803199"
                           y3="4.37717"
                           yFract="0.51862204"
                           z3="6.42348"
                           zFract="0.28908551"/>
                     <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="4.19938"
                           xFract="0.49755687"
                           y3="4.17563"
                           yFract="0.49474289"
                           z3="4.31362"
                           zFract="0.19413231"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21757"
                           xFract="0.49971209"
                           y3="4.19652"
                           yFract="0.49721801"
                           z3="8.56329"
                           zFract="0.38538659"/>
                     <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="6.41675"
                           xFract="0.76027844"
                           y3="6.3383"
                           yFract="0.75098341"
                           z3="4.23273"
                           zFract="0.1904919"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20044"
                           xFract="0.73464929"
                           y3="6.31434"
                           yFract="0.74814455"
                           z3="9.11217"
                           zFract="0.41008866"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3379"
                           xFract="0.75093602"
                           y3="6.30598"
                           yFract="0.74715403"
                           z3="10.07861"
                           zFract="0.45358281"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21506"
                           xFract="0.49941469"
                           y3="4.20761"
                           yFract="0.49853199"
                           z3="6.40053"
                           zFract="0.28805266"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31876"
                           xFract="0.74866825"
                           y3="6.3453"
                           yFract="0.7518128"
                           z3="6.26871"
                           zFract="0.28212016"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11947"
                           xFract="0.25112204"
                           y3="6.31958"
                           yFract="0.7487654"
                           z3="6.37569"
                           zFract="0.28693474"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02247"
                           xFract="0.00266232"
                           y3="2.12758"
                           yFract="0.25208294"
                           z3="4.23641"
                           zFract="0.19065752"/>
                     <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="-0.01397"
                           xFract="-0.00165521"
                           y3="2.09719"
                           yFract="0.24848223"
                           z3="8.43294"
                           zFract="0.37952025"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="-0.03081"
                           yFract="-0.00365047"
                           z3="6.43835"
                           zFract="0.28975473"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07389"
                           xFract="0.24572156"
                           y3="0.01126"
                           yFract="0.00133412"
                           z3="8.46745"
                           zFract="0.38107336"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34061"
                           xFract="0.75125711"
                           y3="0.07235"
                           yFract="0.00857227"
                           z3="8.49031"
                           zFract="0.38210216"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09727"
                           xFract="0.24849171"
                           y3="2.07046"
                           yFract="0.24531517"
                           z3="6.32425"
                           zFract="0.28461971"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0327"
                           xFract="-0.00387441"
                           y3="4.22917"
                           yFract="0.50108649"
                           z3="6.33957"
                           zFract="0.28530918"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14561"
                           xFract="0.49118602"
                           y3="6.31547"
                           yFract="0.74827844"
                           z3="8.50644"
                           zFract="0.38282808"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08933"
                           xFract="0.24755095"
                           y3="4.18589"
                           yFract="0.49595853"
                           z3="8.4232"
                           zFract="0.37908191"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12191"
                           xFract="0.25141114"
                           y3="4.24183"
                           yFract="0.50258649"
                           z3="4.24097"
                           zFract="0.19086274"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32378"
                           xFract="0.74926303"
                           y3="4.13527"
                           yFract="0.4899609"
                           z3="8.44394"
                           zFract="0.3800153"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19891"
                           xFract="0.49750118"
                           y3="2.10148"
                           yFract="0.24899052"
                           z3="8.42546"
                           zFract="0.37918362"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21146"
                           xFract="0.49898815"
                           y3="6.33452"
                           yFract="0.75053555"
                           z3="4.28421"
                           zFract="0.19280873"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02249"
                           xFract="-0.00266469"
                           y3="0.01229"
                           yFract="0.00145616"
                           z3="6.34096"
                           zFract="0.28537174"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35648"
                           xFract="0.75313744"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="4.28536"
                           zFract="0.19286049"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11151"
                           xFract="0.25017891"
                           y3="-0.03245"
                           yFract="-0.00384479"
                           z3="4.24441"
                           zFract="0.19101755"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02254"
                           xFract="0.00267062"
                           y3="6.3475"
                           yFract="0.75207346"
                           z3="4.20343"
                           zFract="0.18917327"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32292"
                           xFract="0.74916114"
                           y3="2.07421"
                           yFract="0.24575948"
                           z3="6.38847"
                           zFract="0.2875099"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11178"
                           xFract="0.01324408"
                           y3="6.33233"
                           yFract="0.75027607"
                           z3="8.42361"
                           zFract="0.37910036"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31104"
                           xFract="0.74775355"
                           y3="4.22474"
                           yFract="0.50056161"
                           z3="4.24252"
                           zFract="0.19093249"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23159"
                           xFract="0.50137322"
                           y3="2.07444"
                           yFract="0.24578673"
                           z3="4.24467"
                           zFract="0.19102925"/>
                     <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="0.04917"
                           xFract="0.00582583"
                           y3="2.10883"
                           yFract="0.24986137"
                           z3="6.34524"
                           zFract="0.28556436"/>
                     <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="2.26245"
                           xFract="0.2680628"
                           y3="-0.03756"
                           yFract="-0.00445024"
                           z3="6.42705"
                           zFract="0.28924617"/>
                     <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="0.03443"
                           xFract="0.00407938"
                           y3="0.17115"
                           yFract="0.02027844"
                           z3="4.23178"
                           zFract="0.19044914"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03533"
                           xFract="-0.00418602"
                           y3="-0.06223"
                           yFract="-0.00737322"
                           z3="8.57477"
                           zFract="0.38590324"/>
                     <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="2.00183"
                           xFract="0.23718365"
                           y3="2.17407"
                           yFract="0.25759123"
                           z3="4.21326"
                           zFract="0.18961566"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08482"
                           xFract="0.24701659"
                           y3="2.09873"
                           yFract="0.24866469"
                           z3="8.47579"
                           zFract="0.38144869"/>
                     <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="4.15876"
                           xFract="0.49274408"
                           y3="2.08292"
                           yFract="0.24679147"
                           z3="6.3706"
                           zFract="0.28670567"/>
                     <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="6.15062"
                           xFract="0.72874645"
                           y3="-0.17405"
                           yFract="-0.02062204"
                           z3="6.49154"
                           zFract="0.29214851"/>
                     <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="4.21422"
                           xFract="0.49931517"
                           y3="0.00824"
                           yFract="0.0009763"
                           z3="4.35561"
                           zFract="0.19602205"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2169"
                           xFract="0.4996327"
                           y3="0.00183"
                           yFract="0.00021682"
                           z3="8.58942"
                           zFract="0.38656256"/>
                     <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="6.48137"
                           xFract="0.76793483"
                           y3="2.11404"
                           yFract="0.25047867"
                           z3="4.28644"
                           zFract="0.19290909"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3333"
                           xFract="0.750391"
                           y3="2.10335"
                           yFract="0.24921209"
                           z3="8.55599"
                           zFract="0.38505806"/>
                     <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="-0.02292"
                           xFract="-0.00271564"
                           y3="6.34525"
                           yFract="0.75180687"
                           z3="6.32184"
                           zFract="0.28451125"/>
                     <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="2.09825"
                           xFract="0.24860782"
                           y3="4.21345"
                           yFract="0.49922393"
                           z3="6.36774"
                           zFract="0.28657696"/>
                     <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="0.02472"
                           xFract="0.00292891"
                           y3="4.08604"
                           yFract="0.48412796"
                           z3="4.27772"
                           zFract="0.19251665"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03394"
                           xFract="-0.00402133"
                           y3="4.26703"
                           yFract="0.50557227"
                           z3="8.46654"
                           zFract="0.3810324"/>
                     <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="2.05294"
                           xFract="0.24323934"
                           y3="6.27591"
                           yFract="0.74359123"
                           z3="4.32605"
                           zFract="0.19469172"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13498"
                           xFract="0.25295972"
                           y3="6.31677"
                           yFract="0.74843246"
                           z3="8.58342"
                           zFract="0.38629253"/>
                     <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="4.25255"
                           xFract="0.50385664"
                           y3="6.31949"
                           yFract="0.74875474"
                           z3="6.49125"
                           zFract="0.29213546"/>
                     <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="4.37775"
                           yFract="0.51869076"
                           z3="6.42534"
                           zFract="0.28916922"/>
                     <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="4.19941"
                           xFract="0.49756043"
                           y3="4.1743"
                           yFract="0.49458531"
                           z3="4.31443"
                           zFract="0.19416877"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21733"
                           xFract="0.49968365"
                           y3="4.19656"
                           yFract="0.49722275"
                           z3="8.56429"
                           zFract="0.38543159"/>
                     <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="6.41739"
                           xFract="0.76035427"
                           y3="6.33758"
                           yFract="0.7508981"
                           z3="4.23372"
                           zFract="0.19053645"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.20011"
                           xFract="0.73461019"
                           y3="6.31386"
                           yFract="0.74808768"
                           z3="9.11706"
                           zFract="0.41030873"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33492"
                           xFract="0.75058294"
                           y3="6.30381"
                           yFract="0.74689692"
                           z3="10.0807"
                           zFract="0.45367687"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21452"
                           xFract="0.49935071"
                           y3="4.20719"
                           yFract="0.49848223"
                           z3="6.40162"
                           zFract="0.28810171"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31842"
                           xFract="0.74862796"
                           y3="6.34963"
                           yFract="0.75232583"
                           z3="6.27109"
                           zFract="0.28222727"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11924"
                           xFract="0.25109479"
                           y3="6.31991"
                           yFract="0.7488045"
                           z3="6.38005"
                           zFract="0.28713096"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02801"
                           xFract="0.00331872"
                           y3="2.12654"
                           yFract="0.25195972"
                           z3="4.23755"
                           zFract="0.19070882"/>
                     <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="-0.01609"
                           xFract="-0.0019064"
                           y3="2.0970"
                           yFract="0.24845972"
                           z3="8.4345"
                           zFract="0.37959046"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21732"
                           xFract="0.49968246"
                           y3="-0.03142"
                           yFract="-0.00372275"
                           z3="6.44425"
                           zFract="0.29002025"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07197"
                           xFract="0.24549408"
                           y3="0.00982"
                           yFract="0.00116351"
                           z3="8.47088"
                           zFract="0.38122772"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33944"
                           xFract="0.75111848"
                           y3="0.06916"
                           yFract="0.00819431"
                           z3="8.49493"
                           zFract="0.38231008"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09713"
                           xFract="0.24847512"
                           y3="2.07059"
                           yFract="0.24533057"
                           z3="6.32547"
                           zFract="0.28467462"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03336"
                           xFract="-0.00395261"
                           y3="4.22849"
                           yFract="0.50100592"
                           z3="6.34354"
                           zFract="0.28548785"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14384"
                           xFract="0.4909763"
                           y3="6.31534"
                           yFract="0.74826303"
                           z3="8.51047"
                           zFract="0.38300945"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08753"
                           xFract="0.24733768"
                           y3="4.1874"
                           yFract="0.49613744"
                           z3="8.42502"
                           zFract="0.37916382"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12249"
                           xFract="0.25147986"
                           y3="4.23963"
                           yFract="0.50232583"
                           z3="4.24215"
                           zFract="0.19091584"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32325"
                           xFract="0.74920024"
                           y3="4.13704"
                           yFract="0.49017062"
                           z3="8.44925"
                           zFract="0.38025428"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19917"
                           xFract="0.49753199"
                           y3="2.10098"
                           yFract="0.24893128"
                           z3="8.42891"
                           zFract="0.37933888"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21274"
                           xFract="0.49913981"
                           y3="6.33587"
                           yFract="0.7506955"
                           z3="4.28556"
                           zFract="0.19286949"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02331"
                           xFract="-0.00276185"
                           y3="0.01063"
                           yFract="0.00125948"
                           z3="6.34252"
                           zFract="0.28544194"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35756"
                           xFract="0.7532654"
                           y3="0.0168"
                           yFract="0.00199052"
                           z3="4.28722"
                           zFract="0.19294419"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1097"
                           xFract="0.24996445"
                           y3="-0.03327"
                           yFract="-0.00394194"
                           z3="4.24462"
                           zFract="0.191027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02267"
                           xFract="0.00268602"
                           y3="6.34859"
                           yFract="0.75220261"
                           z3="4.20393"
                           zFract="0.18919577"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32115"
                           xFract="0.74895142"
                           y3="2.07373"
                           yFract="0.24570261"
                           z3="6.39234"
                           zFract="0.28768407"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11017"
                           xFract="0.01305332"
                           y3="6.33191"
                           yFract="0.7502263"
                           z3="8.42795"
                           zFract="0.37929568"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30952"
                           xFract="0.74757346"
                           y3="4.22378"
                           yFract="0.50044787"
                           z3="4.24413"
                           zFract="0.19100495"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23367"
                           xFract="0.50161967"
                           y3="2.07256"
                           yFract="0.24556398"
                           z3="4.24509"
                           zFract="0.19104815"/>
                     <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="0.04806"
                           xFract="0.00569431"
                           y3="2.10401"
                           yFract="0.24929028"
                           z3="6.3479"
                           zFract="0.28568407"/>
                     <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="2.26541"
                           xFract="0.26841351"
                           y3="-0.03777"
                           yFract="-0.00447512"
                           z3="6.42819"
                           zFract="0.28929748"/>
                     <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="0.03057"
                           xFract="0.00362204"
                           y3="0.17348"
                           yFract="0.0205545"
                           z3="4.23417"
                           zFract="0.19055671"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03609"
                           xFract="-0.00427607"
                           y3="-0.06443"
                           yFract="-0.00763389"
                           z3="8.57507"
                           zFract="0.38591674"/>
                     <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="2.00003"
                           xFract="0.23697038"
                           y3="2.17042"
                           yFract="0.25715877"
                           z3="4.21647"
                           zFract="0.18976013"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08313"
                           xFract="0.24681635"
                           y3="2.09883"
                           yFract="0.24867654"
                           z3="8.47942"
                           zFract="0.38161206"/>
                     <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="4.16022"
                           xFract="0.49291706"
                           y3="2.08169"
                           yFract="0.24664573"
                           z3="6.37299"
                           zFract="0.28681323"/>
                     <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="6.14424"
                           xFract="0.72799052"
                           y3="-0.17612"
                           yFract="-0.0208673"
                           z3="6.49729"
                           zFract="0.29240729"/>
                     <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="4.21759"
                           xFract="0.49971445"
                           y3="0.00971"
                           yFract="0.00115047"
                           z3="4.35758"
                           zFract="0.19611071"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21482"
                           xFract="0.49938626"
                           y3="0.00126"
                           yFract="0.00014929"
                           z3="8.59227"
                           zFract="0.38669082"/>
                     <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="6.48112"
                           xFract="0.76790521"
                           y3="2.11521"
                           yFract="0.2506173"
                           z3="4.28673"
                           zFract="0.19292214"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33431"
                           xFract="0.75051066"
                           y3="2.1053"
                           yFract="0.24944313"
                           z3="8.56052"
                           zFract="0.38526193"/>
                     <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="-0.0233"
                           xFract="-0.00276066"
                           y3="6.34791"
                           yFract="0.75212204"
                           z3="6.32174"
                           zFract="0.28450675"/>
                     <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="2.09611"
                           xFract="0.24835427"
                           y3="4.2121"
                           yFract="0.49906398"
                           z3="6.36945"
                           zFract="0.28665392"/>
                     <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="0.02453"
                           xFract="0.0029064"
                           y3="4.08738"
                           yFract="0.48428673"
                           z3="4.27989"
                           zFract="0.19261431"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03561"
                           xFract="-0.00421919"
                           y3="4.26782"
                           yFract="0.50566588"
                           z3="8.46738"
                           zFract="0.38107021"/>
                     <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="2.05114"
                           xFract="0.24302607"
                           y3="6.27602"
                           yFract="0.74360427"
                           z3="4.32975"
                           zFract="0.19485824"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13707"
                           xFract="0.25320735"
                           y3="6.31614"
                           yFract="0.74835782"
                           z3="8.58763"
                           zFract="0.386482"/>
                     <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="4.25231"
                           xFract="0.5038282"
                           y3="6.31769"
                           yFract="0.74854147"
                           z3="6.49316"
                           zFract="0.29222142"/>
                     <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="6.31583"
                           xFract="0.74832109"
                           y3="4.3789"
                           yFract="0.51882701"
                           z3="6.42905"
                           zFract="0.28933618"/>
                     <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="4.19946"
                           xFract="0.49756635"
                           y3="4.17164"
                           yFract="0.49427014"
                           z3="4.31606"
                           zFract="0.19424212"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21685"
                           xFract="0.49962678"
                           y3="4.19665"
                           yFract="0.49723341"
                           z3="8.56629"
                           zFract="0.3855216"/>
                     <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="6.41866"
                           xFract="0.76050474"
                           y3="6.33614"
                           yFract="0.75072749"
                           z3="4.23571"
                           zFract="0.19062601"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19947"
                           xFract="0.73453436"
                           y3="6.31291"
                           yFract="0.74797512"
                           z3="9.12685"
                           zFract="0.41074932"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33684"
                           xFract="0.75081043"
                           y3="6.30521"
                           yFract="0.7470628"
                           z3="10.07935"
                           zFract="0.45361611"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21487"
                           xFract="0.49939218"
                           y3="4.20746"
                           yFract="0.49851422"
                           z3="6.40092"
                           zFract="0.28807021"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31864"
                           xFract="0.74865403"
                           y3="6.34685"
                           yFract="0.75199645"
                           z3="6.26956"
                           zFract="0.28215842"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11939"
                           xFract="0.25111256"
                           y3="6.3197"
                           yFract="0.74877962"
                           z3="6.37724"
                           zFract="0.2870045"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02444"
                           xFract="0.00289573"
                           y3="2.12721"
                           yFract="0.2520391"
                           z3="4.23681"
                           zFract="0.19067552"/>
                     <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="-0.01472"
                           xFract="-0.00174408"
                           y3="2.09712"
                           yFract="0.24847393"
                           z3="8.43349"
                           zFract="0.379545"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2139"
                           xFract="0.49927725"
                           y3="-0.03103"
                           yFract="-0.00367654"
                           z3="6.44046"
                           zFract="0.28984968"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0732"
                           xFract="0.24563981"
                           y3="0.01074"
                           yFract="0.00127251"
                           z3="8.46867"
                           zFract="0.38112826"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3402"
                           xFract="0.75120853"
                           y3="0.07121"
                           yFract="0.0084372"
                           z3="8.49196"
                           zFract="0.38217642"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09722"
                           xFract="0.24848578"
                           y3="2.0705"
                           yFract="0.24531991"
                           z3="6.32469"
                           zFract="0.28463951"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03293"
                           xFract="-0.00390166"
                           y3="4.22893"
                           yFract="0.50105806"
                           z3="6.34098"
                           zFract="0.28537264"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14498"
                           xFract="0.49111137"
                           y3="6.31542"
                           yFract="0.74827251"
                           z3="8.50787"
                           zFract="0.38289244"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08869"
                           xFract="0.24747512"
                           y3="4.18643"
                           yFract="0.49602251"
                           z3="8.42385"
                           zFract="0.37911116"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12212"
                           xFract="0.25143602"
                           y3="4.24105"
                           yFract="0.50249408"
                           z3="4.24139"
                           zFract="0.19088164"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32359"
                           xFract="0.74924052"
                           y3="4.1359"
                           yFract="0.49003555"
                           z3="8.44583"
                           zFract="0.38010036"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19901"
                           xFract="0.49751303"
                           y3="2.1013"
                           yFract="0.24896919"
                           z3="8.42669"
                           zFract="0.37923897"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21192"
                           xFract="0.49904265"
                           y3="6.3350"
                           yFract="0.75059242"
                           z3="4.28469"
                           zFract="0.19283033"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02278"
                           xFract="-0.00269905"
                           y3="0.0117"
                           yFract="0.00138626"
                           z3="6.34151"
                           zFract="0.28539649"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35686"
                           xFract="0.75318246"
                           y3="0.01681"
                           yFract="0.00199171"
                           z3="4.28603"
                           zFract="0.19289064"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11086"
                           xFract="0.2501019"
                           y3="-0.03274"
                           yFract="-0.00387915"
                           z3="4.24449"
                           zFract="0.19102115"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02259"
                           xFract="0.00267654"
                           y3="6.34788"
                           yFract="0.75211848"
                           z3="4.20361"
                           zFract="0.18918137"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32229"
                           xFract="0.74908649"
                           y3="2.07404"
                           yFract="0.24573934"
                           z3="6.38985"
                           zFract="0.28757201"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11121"
                           xFract="0.01317654"
                           y3="6.33218"
                           yFract="0.75025829"
                           z3="8.42516"
                           zFract="0.37917012"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3105"
                           xFract="0.74768957"
                           y3="4.2244"
                           yFract="0.50052133"
                           z3="4.24309"
                           zFract="0.19095815"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23233"
                           xFract="0.5014609"
                           y3="2.07377"
                           yFract="0.24570735"
                           z3="4.24482"
                           zFract="0.191036"/>
                     <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="0.04878"
                           xFract="0.00577962"
                           y3="2.10711"
                           yFract="0.24965758"
                           z3="6.34619"
                           zFract="0.28560711"/>
                     <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="2.2635"
                           xFract="0.2681872"
                           y3="-0.03764"
                           yFract="-0.00445972"
                           z3="6.42746"
                           zFract="0.28926463"/>
                     <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="0.03306"
                           xFract="0.00391706"
                           y3="0.17198"
                           yFract="0.02037678"
                           z3="4.23263"
                           zFract="0.1904874"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0356"
                           xFract="-0.00421801"
                           y3="-0.06301"
                           yFract="-0.00746564"
                           z3="8.57488"
                           zFract="0.38590819"/>
                     <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="2.00119"
                           xFract="0.23710782"
                           y3="2.17277"
                           yFract="0.2574372"
                           z3="4.21441"
                           zFract="0.18966742"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08421"
                           xFract="0.24694431"
                           y3="2.09876"
                           yFract="0.24866825"
                           z3="8.47709"
                           zFract="0.3815072"/>
                     <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="4.15928"
                           xFract="0.49280569"
                           y3="2.08249"
                           yFract="0.24674052"
                           z3="6.37145"
                           zFract="0.28674392"/>
                     <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="6.14834"
                           xFract="0.7284763"
                           y3="-0.17478"
                           yFract="-0.02070853"
                           z3="6.49359"
                           zFract="0.29224077"/>
                     <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="4.21542"
                           xFract="0.49945735"
                           y3="0.00877"
                           yFract="0.0010391"
                           z3="4.35631"
                           zFract="0.19605356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21616"
                           xFract="0.49954502"
                           y3="0.00163"
                           yFract="0.00019313"
                           z3="8.59044"
                           zFract="0.38660846"/>
                     <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="6.48128"
                           xFract="0.76792417"
                           y3="2.11446"
                           yFract="0.25052844"
                           z3="4.28654"
                           zFract="0.19291359"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33366"
                           xFract="0.75043365"
                           y3="2.10404"
                           yFract="0.24929384"
                           z3="8.55761"
                           zFract="0.38513096"/>
                     <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="-0.02306"
                           xFract="-0.00273223"
                           y3="6.3462"
                           yFract="0.75191943"
                           z3="6.3218"
                           zFract="0.28450945"/>
                     <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="2.09749"
                           xFract="0.24851777"
                           y3="4.21297"
                           yFract="0.49916706"
                           z3="6.36835"
                           zFract="0.28660441"/>
                     <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="0.02465"
                           xFract="0.00292062"
                           y3="4.08652"
                           yFract="0.48418483"
                           z3="4.27849"
                           zFract="0.19255131"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03453"
                           xFract="-0.00409123"
                           y3="4.26731"
                           yFract="0.50560545"
                           z3="8.46684"
                           zFract="0.3810459"/>
                     <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="2.0523"
                           xFract="0.24316351"
                           y3="6.27595"
                           yFract="0.74359597"
                           z3="4.32737"
                           zFract="0.19475113"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13573"
                           xFract="0.25304858"
                           y3="6.31654"
                           yFract="0.74840521"
                           z3="8.58492"
                           zFract="0.38636004"/>
                     <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="4.25247"
                           xFract="0.50384716"
                           y3="6.31885"
                           yFract="0.74867891"
                           z3="6.49193"
                           zFract="0.29216607"/>
                     <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="6.31479"
                           xFract="0.74819787"
                           y3="4.37816"
                           yFract="0.51873934"
                           z3="6.42666"
                           zFract="0.28922862"/>
                     <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="4.19943"
                           xFract="0.4975628"
                           y3="4.17335"
                           yFract="0.49447275"
                           z3="4.31501"
                           zFract="0.19419487"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21716"
                           xFract="0.49966351"
                           y3="4.1966"
                           yFract="0.49722749"
                           z3="8.5650"
                           zFract="0.38546355"/>
                     <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="6.41784"
                           xFract="0.76040758"
                           y3="6.33706"
                           yFract="0.75083649"
                           z3="4.23443"
                           zFract="0.19056841"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19988"
                           xFract="0.73458294"
                           y3="6.31352"
                           yFract="0.74804739"
                           z3="9.12055"
                           zFract="0.4104658"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33668"
                           xFract="0.75079147"
                           y3="6.30498"
                           yFract="0.74703555"
                           z3="10.08051"
                           zFract="0.45366832"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21484"
                           xFract="0.49938863"
                           y3="4.20744"
                           yFract="0.49851185"
                           z3="6.40107"
                           zFract="0.28807696"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3186"
                           xFract="0.74864929"
                           y3="6.34726"
                           yFract="0.75204502"
                           z3="6.2698"
                           zFract="0.28216922"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11936"
                           xFract="0.251109"
                           y3="6.31973"
                           yFract="0.74878318"
                           z3="6.37768"
                           zFract="0.2870243"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02496"
                           xFract="0.00295735"
                           y3="2.12713"
                           yFract="0.25202962"
                           z3="4.2369"
                           zFract="0.19067957"/>
                     <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="-0.0149"
                           xFract="-0.0017654"
                           y3="2.0971"
                           yFract="0.24847156"
                           z3="8.43369"
                           zFract="0.37955401"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21436"
                           xFract="0.49933175"
                           y3="-0.03114"
                           yFract="-0.00368957"
                           z3="6.4411"
                           zFract="0.28987849"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07302"
                           xFract="0.24561848"
                           y3="0.01061"
                           yFract="0.00125711"
                           z3="8.46906"
                           zFract="0.38114581"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.34007"
                           xFract="0.75119313"
                           y3="0.07087"
                           yFract="0.00839692"
                           z3="8.49248"
                           zFract="0.38219982"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0972"
                           xFract="0.24848341"
                           y3="2.07047"
                           yFract="0.24531635"
                           z3="6.32487"
                           zFract="0.28464761"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03301"
                           xFract="-0.00391114"
                           y3="4.22889"
                           yFract="0.50105332"
                           z3="6.34134"
                           zFract="0.28538884"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1448"
                           xFract="0.49109005"
                           y3="6.31541"
                           yFract="0.74827133"
                           z3="8.50828"
                           zFract="0.38291089"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08851"
                           xFract="0.24745379"
                           y3="4.18656"
                           yFract="0.49603791"
                           z3="8.42409"
                           zFract="0.37912196"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12215"
                           xFract="0.25143957"
                           y3="4.24084"
                           yFract="0.50246919"
                           z3="4.24154"
                           zFract="0.19088839"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32353"
                           xFract="0.74923341"
                           y3="4.1361"
                           yFract="0.49005924"
                           z3="8.4464"
                           zFract="0.38012601"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.1990"
                           xFract="0.49751185"
                           y3="2.10124"
                           yFract="0.24896209"
                           z3="8.42711"
                           zFract="0.37925788"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21203"
                           xFract="0.49905569"
                           y3="6.33516"
                           yFract="0.75061137"
                           z3="4.28484"
                           zFract="0.19283708"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02286"
                           xFract="-0.00270853"
                           y3="0.01151"
                           yFract="0.00136374"
                           z3="6.34166"
                           zFract="0.28540324"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35698"
                           xFract="0.75319668"
                           y3="0.0168"
                           yFract="0.00199052"
                           z3="4.28625"
                           zFract="0.19290054"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11067"
                           xFract="0.25007938"
                           y3="-0.03284"
                           yFract="-0.003891"
                           z3="4.24454"
                           zFract="0.1910234"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02262"
                           xFract="0.00268009"
                           y3="6.34797"
                           yFract="0.75212915"
                           z3="4.20367"
                           zFract="0.18918407"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32209"
                           xFract="0.7490628"
                           y3="2.07399"
                           yFract="0.24573341"
                           z3="6.39024"
                           zFract="0.28758956"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11104"
                           xFract="0.0131564"
                           y3="6.33213"
                           yFract="0.75025237"
                           z3="8.42558"
                           zFract="0.37918902"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.31035"
                           xFract="0.7476718"
                           y3="4.22432"
                           yFract="0.50051185"
                           z3="4.24327"
                           zFract="0.19096625"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23254"
                           xFract="0.50148578"
                           y3="2.07357"
                           yFract="0.24568365"
                           z3="4.24485"
                           zFract="0.19103735"/>
                     <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="0.04866"
                           xFract="0.0057654"
                           y3="2.10663"
                           yFract="0.24960071"
                           z3="6.34649"
                           zFract="0.28562061"/>
                     <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="2.26384"
                           xFract="0.26822749"
                           y3="-0.03765"
                           yFract="-0.0044609"
                           z3="6.4276"
                           zFract="0.28927093"/>
                     <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="0.03263"
                           xFract="0.00386611"
                           y3="0.17223"
                           yFract="0.0204064"
                           z3="4.23288"
                           zFract="0.19049865"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03572"
                           xFract="-0.00423223"
                           y3="-0.06325"
                           yFract="-0.00749408"
                           z3="8.57493"
                           zFract="0.38591044"/>
                     <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="2.0010"
                           xFract="0.23708531"
                           y3="2.17241"
                           yFract="0.25739455"
                           z3="4.21474"
                           zFract="0.18968227"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08403"
                           xFract="0.24692299"
                           y3="2.09878"
                           yFract="0.24867062"
                           z3="8.47746"
                           zFract="0.38152385"/>
                     <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="4.15942"
                           xFract="0.49282227"
                           y3="2.08238"
                           yFract="0.24672749"
                           z3="6.37175"
                           zFract="0.28675743"/>
                     <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="6.14772"
                           xFract="0.72840284"
                           y3="-0.17499"
                           yFract="-0.02073341"
                           z3="6.49417"
                           zFract="0.29226688"/>
                     <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="4.21582"
                           xFract="0.49950474"
                           y3="0.00892"
                           yFract="0.00105687"
                           z3="4.35653"
                           zFract="0.19606346"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21594"
                           xFract="0.49951896"
                           y3="0.00161"
                           yFract="0.00019076"
                           z3="8.59074"
                           zFract="0.38662196"/>
                     <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="6.48132"
                           xFract="0.76792891"
                           y3="2.11462"
                           yFract="0.25054739"
                           z3="4.28662"
                           zFract="0.19291719"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33374"
                           xFract="0.75044313"
                           y3="2.10424"
                           yFract="0.24931754"
                           z3="8.55808"
                           zFract="0.38515212"/>
                     <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="-0.0231"
                           xFract="-0.00273697"
                           y3="6.3465"
                           yFract="0.75195498"
                           z3="6.32176"
                           zFract="0.28450765"/>
                     <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="2.09726"
                           xFract="0.24849052"
                           y3="4.2128"
                           yFract="0.49914692"
                           z3="6.36854"
                           zFract="0.28661296"/>
                     <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="0.02463"
                           xFract="0.00291825"
                           y3="4.0866"
                           yFract="0.48419431"
                           z3="4.27876"
                           zFract="0.19256346"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03471"
                           xFract="-0.00411256"
                           y3="4.26742"
                           yFract="0.50561848"
                           z3="8.46692"
                           zFract="0.3810495"/>
                     <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="2.05212"
                           xFract="0.24314218"
                           y3="6.27597"
                           yFract="0.74359834"
                           z3="4.32777"
                           zFract="0.19476913"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13595"
                           xFract="0.25307464"
                           y3="6.31647"
                           yFract="0.74839692"
                           z3="8.58536"
                           zFract="0.38637984"/>
                     <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="4.25243"
                           xFract="0.50384242"
                           y3="6.31862"
                           yFract="0.74865166"
                           z3="6.49207"
                           zFract="0.29217237"/>
                     <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="6.31493"
                           xFract="0.74821445"
                           y3="4.37831"
                           yFract="0.51875711"
                           z3="6.42701"
                           zFract="0.28924437"/>
                     <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="4.19944"
                           xFract="0.49756398"
                           y3="4.17305"
                           yFract="0.4944372"
                           z3="4.31519"
                           zFract="0.19420297"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21711"
                           xFract="0.49965758"
                           y3="4.19655"
                           yFract="0.49722156"
                           z3="8.56518"
                           zFract="0.38547165"/>
                     <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="6.41797"
                           xFract="0.76042299"
                           y3="6.33691"
                           yFract="0.75081872"
                           z3="4.23462"
                           zFract="0.19057696"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19965"
                           xFract="0.73455569"
                           y3="6.31343"
                           yFract="0.74803673"
                           z3="9.12071"
                           zFract="0.410473"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3362"
                           xFract="0.7507346"
                           y3="6.3043"
                           yFract="0.74695498"
                           z3="10.08397"
                           zFract="0.45382403"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21476"
                           xFract="0.49937915"
                           y3="4.20736"
                           yFract="0.49850237"
                           z3="6.40153"
                           zFract="0.28809766"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31849"
                           xFract="0.74863626"
                           y3="6.34849"
                           yFract="0.75219076"
                           z3="6.27052"
                           zFract="0.28220162"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11925"
                           xFract="0.25109597"
                           y3="6.31982"
                           yFract="0.74879384"
                           z3="6.37901"
                           zFract="0.28708416"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02652"
                           xFract="0.00314218"
                           y3="2.12687"
                           yFract="0.25199882"
                           z3="4.23714"
                           zFract="0.19069037"/>
                     <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="-0.01543"
                           xFract="-0.0018282"
                           y3="2.09704"
                           yFract="0.24846445"
                           z3="8.43426"
                           zFract="0.37957966"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21577"
                           xFract="0.49949882"
                           y3="-0.03148"
                           yFract="-0.00372986"
                           z3="6.44305"
                           zFract="0.28996625"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07247"
                           xFract="0.24555332"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="8.47022"
                           zFract="0.38119802"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3397"
                           xFract="0.75114929"
                           y3="0.06986"
                           yFract="0.00827725"
                           z3="8.49405"
                           zFract="0.38227048"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09715"
                           xFract="0.24847749"
                           y3="2.07036"
                           yFract="0.24530332"
                           z3="6.32544"
                           zFract="0.28467327"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03323"
                           xFract="-0.0039372"
                           y3="4.22877"
                           yFract="0.5010391"
                           z3="6.3424"
                           zFract="0.28543654"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14428"
                           xFract="0.49102844"
                           y3="6.31535"
                           yFract="0.74826422"
                           z3="8.50951"
                           zFract="0.38296625"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08797"
                           xFract="0.24738981"
                           y3="4.18697"
                           yFract="0.49608649"
                           z3="8.42482"
                           zFract="0.37915482"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12223"
                           xFract="0.25144905"
                           y3="4.24019"
                           yFract="0.50239218"
                           z3="4.24198"
                           zFract="0.19090819"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32335"
                           xFract="0.74921209"
                           y3="4.13669"
                           yFract="0.49012915"
                           z3="8.44809"
                           zFract="0.38020207"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.1990"
                           xFract="0.49751185"
                           y3="2.10106"
                           yFract="0.24894076"
                           z3="8.42836"
                           zFract="0.37931413"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21236"
                           xFract="0.49909479"
                           y3="6.33561"
                           yFract="0.75066469"
                           z3="4.28528"
                           zFract="0.19285689"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02307"
                           xFract="-0.00273341"
                           y3="0.01094"
                           yFract="0.00129621"
                           z3="6.34211"
                           zFract="0.28542349"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35735"
                           xFract="0.75324052"
                           y3="0.0168"
                           yFract="0.00199052"
                           z3="4.28691"
                           zFract="0.19293024"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11009"
                           xFract="0.25001066"
                           y3="-0.03314"
                           yFract="-0.00392654"
                           z3="4.24469"
                           zFract="0.19103015"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02273"
                           xFract="0.00269313"
                           y3="6.34823"
                           yFract="0.75215995"
                           z3="4.20385"
                           zFract="0.18919217"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3215"
                           xFract="0.74899289"
                           y3="2.07383"
                           yFract="0.24571445"
                           z3="6.3914"
                           zFract="0.28764176"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.11053"
                           xFract="0.01309597"
                           y3="6.33196"
                           yFract="0.75023223"
                           z3="8.42684"
                           zFract="0.37924572"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30991"
                           xFract="0.74761967"
                           y3="4.22408"
                           yFract="0.50048341"
                           z3="4.2438"
                           zFract="0.1909901"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23317"
                           xFract="0.50156043"
                           y3="2.07298"
                           yFract="0.24561374"
                           z3="4.24494"
                           zFract="0.1910414"/>
                     <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="0.04832"
                           xFract="0.00572512"
                           y3="2.10519"
                           yFract="0.24943009"
                           z3="6.34739"
                           zFract="0.28566112"/>
                     <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="2.26486"
                           xFract="0.26834834"
                           y3="-0.03769"
                           yFract="-0.00446564"
                           z3="6.42802"
                           zFract="0.28928983"/>
                     <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="0.03134"
                           xFract="0.00371327"
                           y3="0.1730"
                           yFract="0.02049763"
                           z3="4.23365"
                           zFract="0.1905333"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03608"
                           xFract="-0.00427488"
                           y3="-0.06396"
                           yFract="-0.0075782"
                           z3="8.5751"
                           zFract="0.38591809"/>
                     <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="2.00041"
                           xFract="0.2370154"
                           y3="2.17131"
                           yFract="0.25726422"
                           z3="4.21573"
                           zFract="0.18972682"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08346"
                           xFract="0.24685545"
                           y3="2.09881"
                           yFract="0.24867417"
                           z3="8.47857"
                           zFract="0.38157381"/>
                     <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="4.15983"
                           xFract="0.49287085"
                           y3="2.08207"
                           yFract="0.24669076"
                           z3="6.37263"
                           zFract="0.28679703"/>
                     <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="6.14586"
                           xFract="0.72818246"
                           y3="-0.17559"
                           yFract="-0.0208045"
                           z3="6.49593"
                           zFract="0.29234608"/>
                     <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="4.21703"
                           xFract="0.4996481"
                           y3="0.00939"
                           yFract="0.00111256"
                           z3="4.35719"
                           zFract="0.19609316"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2153"
                           xFract="0.49944313"
                           y3="0.00157"
                           yFract="0.00018602"
                           z3="8.59166"
                           zFract="0.38666337"/>
                     <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="6.48144"
                           xFract="0.76794313"
                           y3="2.11511"
                           yFract="0.25060545"
                           z3="4.28684"
                           zFract="0.19292709"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33399"
                           xFract="0.75047275"
                           y3="2.10483"
                           yFract="0.24938744"
                           z3="8.55951"
                           zFract="0.38521647"/>
                     <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="-0.02323"
                           xFract="-0.00275237"
                           y3="6.3474"
                           yFract="0.75206161"
                           z3="6.32163"
                           zFract="0.2845018"/>
                     <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="2.09656"
                           xFract="0.24840758"
                           y3="4.21231"
                           yFract="0.49908886"
                           z3="6.36911"
                           zFract="0.28663861"/>
                     <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="0.02456"
                           xFract="0.00290995"
                           y3="4.08685"
                           yFract="0.48422393"
                           z3="4.27958"
                           zFract="0.19260036"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03525"
                           xFract="-0.00417654"
                           y3="4.26774"
                           yFract="0.5056564"
                           z3="8.46718"
                           zFract="0.38106121"/>
                     <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="2.05158"
                           xFract="0.2430782"
                           y3="6.27603"
                           yFract="0.74360545"
                           z3="4.32897"
                           zFract="0.19482313"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13661"
                           xFract="0.25315284"
                           y3="6.31625"
                           yFract="0.74837085"
                           z3="8.58666"
                           zFract="0.38643834"/>
                     <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="4.25231"
                           xFract="0.5038282"
                           y3="6.31792"
                           yFract="0.74856872"
                           z3="6.4925"
                           zFract="0.29219172"/>
                     <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="4.37877"
                           yFract="0.51881161"
                           z3="6.42804"
                           zFract="0.28929073"/>
                     <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="4.19947"
                           xFract="0.49756754"
                           y3="4.17213"
                           yFract="0.4943282"
                           z3="4.3157"
                           zFract="0.19422592"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21696"
                           xFract="0.49963981"
                           y3="4.19641"
                           yFract="0.49720498"
                           z3="8.56573"
                           zFract="0.3854964"/>
                     <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="6.41834"
                           xFract="0.76046682"
                           y3="6.33644"
                           yFract="0.75076303"
                           z3="4.23521"
                           zFract="0.19060351"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19894"
                           xFract="0.73447156"
                           y3="6.31314"
                           yFract="0.74800237"
                           z3="9.1212"
                           zFract="0.41049505"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33524"
                           xFract="0.75062085"
                           y3="6.30293"
                           yFract="0.74679265"
                           z3="10.0909"
                           zFract="0.45413591"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21459"
                           xFract="0.499359"
                           y3="4.20721"
                           yFract="0.4984846"
                           z3="6.40244"
                           zFract="0.28813861"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31828"
                           xFract="0.74861137"
                           y3="6.35095"
                           yFract="0.75248223"
                           z3="6.27196"
                           zFract="0.28226643"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11903"
                           xFract="0.25106991"
                           y3="6.3200"
                           yFract="0.74881517"
                           z3="6.38166"
                           zFract="0.28720342"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02962"
                           xFract="0.00350948"
                           y3="2.12635"
                           yFract="0.2519372"
                           z3="4.23762"
                           zFract="0.19071197"/>
                     <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="-0.0165"
                           xFract="-0.00195498"
                           y3="2.09691"
                           yFract="0.24844905"
                           z3="8.43541"
                           zFract="0.37963141"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21857"
                           xFract="0.49983057"
                           y3="-0.03217"
                           yFract="-0.00381161"
                           z3="6.44695"
                           zFract="0.29014176"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07137"
                           xFract="0.24542299"
                           y3="0.00945"
                           yFract="0.00111967"
                           z3="8.47255"
                           zFract="0.38130288"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33895"
                           xFract="0.75106043"
                           y3="0.06784"
                           yFract="0.00803791"
                           z3="8.4972"
                           zFract="0.38241224"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09706"
                           xFract="0.24846682"
                           y3="2.07014"
                           yFract="0.24527725"
                           z3="6.32658"
                           zFract="0.28472457"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03367"
                           xFract="-0.00398934"
                           y3="4.22853"
                           yFract="0.50101066"
                           z3="6.34453"
                           zFract="0.2855324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14323"
                           xFract="0.49090403"
                           y3="6.31525"
                           yFract="0.74825237"
                           z3="8.51196"
                           zFract="0.38307651"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08688"
                           xFract="0.24726066"
                           y3="4.18777"
                           yFract="0.49618128"
                           z3="8.42629"
                           zFract="0.37922097"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12241"
                           xFract="0.25147038"
                           y3="4.23891"
                           yFract="0.50224052"
                           z3="4.24287"
                           zFract="0.19094824"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32299"
                           xFract="0.74916943"
                           y3="4.13789"
                           yFract="0.49027133"
                           z3="8.45147"
                           zFract="0.38035419"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19899"
                           xFract="0.49751066"
                           y3="2.10069"
                           yFract="0.24889692"
                           z3="8.43086"
                           zFract="0.37942664"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21303"
                           xFract="0.49917417"
                           y3="6.33652"
                           yFract="0.75077251"
                           z3="4.28615"
                           zFract="0.19289604"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02351"
                           xFract="-0.00278555"
                           y3="0.00981"
                           yFract="0.00116232"
                           z3="6.3430"
                           zFract="0.28546355"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35808"
                           xFract="0.75332701"
                           y3="0.01679"
                           yFract="0.00198934"
                           z3="4.28825"
                           zFract="0.19299055"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10893"
                           xFract="0.24987322"
                           y3="-0.03374"
                           yFract="-0.00399763"
                           z3="4.24499"
                           zFract="0.19104365"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02294"
                           xFract="0.00271801"
                           y3="6.34876"
                           yFract="0.75222275"
                           z3="4.20421"
                           zFract="0.18920837"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32031"
                           xFract="0.7488519"
                           y3="2.0735"
                           yFract="0.24567536"
                           z3="6.39372"
                           zFract="0.28774617"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10951"
                           xFract="0.01297512"
                           y3="6.33162"
                           yFract="0.75019194"
                           z3="8.42937"
                           zFract="0.37935959"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30903"
                           xFract="0.7475154"
                           y3="4.22359"
                           yFract="0.50042536"
                           z3="4.24486"
                           zFract="0.1910378"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23443"
                           xFract="0.50170972"
                           y3="2.07179"
                           yFract="0.24547275"
                           z3="4.24513"
                           zFract="0.19104995"/>
                     <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="0.04764"
                           xFract="0.00564455"
                           y3="2.10231"
                           yFract="0.24908886"
                           z3="6.3492"
                           zFract="0.28574257"/>
                     <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="2.2669"
                           xFract="0.26859005"
                           y3="-0.03777"
                           yFract="-0.00447512"
                           z3="6.42886"
                           zFract="0.28932763"/>
                     <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="0.02876"
                           xFract="0.00340758"
                           y3="0.17454"
                           yFract="0.02068009"
                           z3="4.23518"
                           zFract="0.19060216"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03679"
                           xFract="-0.004359"
                           y3="-0.06539"
                           yFract="-0.00774763"
                           z3="8.57542"
                           zFract="0.38593249"/>
                     <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="1.99923"
                           xFract="0.23687559"
                           y3="2.16913"
                           yFract="0.25700592"
                           z3="4.21772"
                           zFract="0.18981638"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08232"
                           xFract="0.24672038"
                           y3="2.09888"
                           yFract="0.24868246"
                           z3="8.4808"
                           zFract="0.38167417"/>
                     <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="4.16065"
                           xFract="0.49296801"
                           y3="2.08145"
                           yFract="0.2466173"
                           z3="6.37439"
                           zFract="0.28687624"/>
                     <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="6.14213"
                           xFract="0.72774052"
                           y3="-0.1768"
                           yFract="-0.02094787"
                           z3="6.49946"
                           zFract="0.29250495"/>
                     <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="4.21945"
                           xFract="0.49993483"
                           y3="0.01032"
                           yFract="0.00122275"
                           z3="4.35851"
                           zFract="0.19615257"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21402"
                           xFract="0.49929147"
                           y3="0.00148"
                           yFract="0.00017536"
                           z3="8.59349"
                           zFract="0.38674572"/>
                     <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="6.48167"
                           xFract="0.76797038"
                           y3="2.11608"
                           yFract="0.25072038"
                           z3="4.28728"
                           zFract="0.19294689"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33448"
                           xFract="0.75053081"
                           y3="2.10602"
                           yFract="0.24952844"
                           z3="8.56237"
                           zFract="0.38534518"/>
                     <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="-0.02348"
                           xFract="-0.00278199"
                           y3="6.34922"
                           yFract="0.75227725"
                           z3="6.32137"
                           zFract="0.2844901"/>
                     <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="2.09517"
                           xFract="0.24824289"
                           y3="4.21132"
                           yFract="0.49897156"
                           z3="6.37024"
                           zFract="0.28668947"/>
                     <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="0.02442"
                           xFract="0.00289336"
                           y3="4.08735"
                           yFract="0.48428318"
                           z3="4.28121"
                           zFract="0.19267372"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03632"
                           xFract="-0.00430332"
                           y3="4.26839"
                           yFract="0.50573341"
                           z3="8.4677"
                           zFract="0.38108461"/>
                     <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="2.05049"
                           xFract="0.24294905"
                           y3="6.27615"
                           yFract="0.74361967"
                           z3="4.33137"
                           zFract="0.19493114"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13792"
                           xFract="0.25330806"
                           y3="6.3158"
                           yFract="0.74831754"
                           z3="8.58926"
                           zFract="0.38655536"/>
                     <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="4.25209"
                           xFract="0.50380213"
                           y3="6.31654"
                           yFract="0.74840521"
                           z3="6.49335"
                           zFract="0.29222997"/>
                     <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="6.31623"
                           xFract="0.74836848"
                           y3="4.37969"
                           yFract="0.51892062"
                           z3="6.4301"
                           zFract="0.28938344"/>
                     <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="4.19954"
                           xFract="0.49757583"
                           y3="4.1703"
                           yFract="0.49411137"
                           z3="4.31674"
                           zFract="0.19427273"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21666"
                           xFract="0.49960427"
                           y3="4.19613"
                           yFract="0.4971718"
                           z3="8.56681"
                           zFract="0.385545"/>
                     <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="6.4191"
                           xFract="0.76055687"
                           y3="6.33551"
                           yFract="0.75065284"
                           z3="4.23637"
                           zFract="0.19065572"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19751"
                           xFract="0.73430213"
                           y3="6.31257"
                           yFract="0.74793483"
                           z3="9.12219"
                           zFract="0.4105396"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33552"
                           xFract="0.75065403"
                           y3="6.30334"
                           yFract="0.74684123"
                           z3="10.08884"
                           zFract="0.4540432"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21464"
                           xFract="0.49936493"
                           y3="4.20725"
                           yFract="0.49848934"
                           z3="6.40217"
                           zFract="0.28812646"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31834"
                           xFract="0.74861848"
                           y3="6.35022"
                           yFract="0.75239573"
                           z3="6.27153"
                           zFract="0.28224707"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1191"
                           xFract="0.2510782"
                           y3="6.31994"
                           yFract="0.74880806"
                           z3="6.38087"
                           zFract="0.28716787"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0287"
                           xFract="0.00340047"
                           y3="2.1265"
                           yFract="0.25195498"
                           z3="4.23748"
                           zFract="0.19070567"/>
                     <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="-0.01619"
                           xFract="-0.00191825"
                           y3="2.09695"
                           yFract="0.24845379"
                           z3="8.43507"
                           zFract="0.37961611"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21774"
                           xFract="0.49973223"
                           y3="-0.03197"
                           yFract="-0.00378791"
                           z3="6.44579"
                           zFract="0.29008956"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0717"
                           xFract="0.24546209"
                           y3="0.00968"
                           yFract="0.00114692"
                           z3="8.47186"
                           zFract="0.38127183"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33917"
                           xFract="0.75108649"
                           y3="0.06844"
                           yFract="0.008109"
                           z3="8.49626"
                           zFract="0.38236994"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09708"
                           xFract="0.24846919"
                           y3="2.07021"
                           yFract="0.24528555"
                           z3="6.32624"
                           zFract="0.28470927"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03354"
                           xFract="-0.00397393"
                           y3="4.2286"
                           yFract="0.50101896"
                           z3="6.3439"
                           zFract="0.28550405"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14354"
                           xFract="0.49094076"
                           y3="6.31528"
                           yFract="0.74825592"
                           z3="8.51123"
                           zFract="0.38304365"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0872"
                           xFract="0.24729858"
                           y3="4.18753"
                           yFract="0.49615284"
                           z3="8.42585"
                           zFract="0.37920117"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12236"
                           xFract="0.25146445"
                           y3="4.23929"
                           yFract="0.50228555"
                           z3="4.24261"
                           zFract="0.19093654"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3231"
                           xFract="0.74918246"
                           y3="4.13753"
                           yFract="0.49022867"
                           z3="8.45047"
                           zFract="0.38030918"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19899"
                           xFract="0.49751066"
                           y3="2.1008"
                           yFract="0.24890995"
                           z3="8.43012"
                           zFract="0.37939334"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21283"
                           xFract="0.49915047"
                           y3="6.33625"
                           yFract="0.75074052"
                           z3="4.28589"
                           zFract="0.19288434"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02338"
                           xFract="-0.00277014"
                           y3="0.01014"
                           yFract="0.00120142"
                           z3="6.34273"
                           zFract="0.2854514"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35786"
                           xFract="0.75330095"
                           y3="0.01679"
                           yFract="0.00198934"
                           z3="4.28785"
                           zFract="0.19297255"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10927"
                           xFract="0.24991351"
                           y3="-0.03356"
                           yFract="-0.0039763"
                           z3="4.2449"
                           zFract="0.1910396"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02287"
                           xFract="0.00270972"
                           y3="6.3486"
                           yFract="0.75220379"
                           z3="4.2041"
                           zFract="0.18920342"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32066"
                           xFract="0.74889336"
                           y3="2.0736"
                           yFract="0.2456872"
                           z3="6.39303"
                           zFract="0.28771512"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10981"
                           xFract="0.01301066"
                           y3="6.33172"
                           yFract="0.75020379"
                           z3="8.42862"
                           zFract="0.37932583"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30929"
                           xFract="0.74754621"
                           y3="4.22373"
                           yFract="0.50044194"
                           z3="4.24455"
                           zFract="0.19102385"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23405"
                           xFract="0.50166469"
                           y3="2.07214"
                           yFract="0.24551422"
                           z3="4.24508"
                           zFract="0.1910477"/>
                     <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="0.04784"
                           xFract="0.00566825"
                           y3="2.10316"
                           yFract="0.24918957"
                           z3="6.34867"
                           zFract="0.28571872"/>
                     <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="2.2663"
                           xFract="0.26851896"
                           y3="-0.03775"
                           yFract="-0.00447275"
                           z3="6.42861"
                           zFract="0.28931638"/>
                     <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="0.02953"
                           xFract="0.00349882"
                           y3="0.17408"
                           yFract="0.02062559"
                           z3="4.23472"
                           zFract="0.19058146"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03658"
                           xFract="-0.00433412"
                           y3="-0.06497"
                           yFract="-0.00769787"
                           z3="8.57532"
                           zFract="0.38592799"/>
                     <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="1.99958"
                           xFract="0.23691706"
                           y3="2.16978"
                           yFract="0.25708294"
                           z3="4.21713"
                           zFract="0.18978983"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08266"
                           xFract="0.24676066"
                           y3="2.09886"
                           yFract="0.24868009"
                           z3="8.48014"
                           zFract="0.38164446"/>
                     <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="4.1604"
                           xFract="0.49293839"
                           y3="2.08164"
                           yFract="0.24663981"
                           z3="6.37386"
                           zFract="0.28685239"/>
                     <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="6.14324"
                           xFract="0.72787204"
                           y3="-0.17644"
                           yFract="-0.02090521"
                           z3="6.49841"
                           zFract="0.2924577"/>
                     <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="4.21873"
                           xFract="0.49984953"
                           y3="0.01005"
                           yFract="0.00119076"
                           z3="4.35812"
                           zFract="0.19613501"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2144"
                           xFract="0.49933649"
                           y3="0.0015"
                           yFract="0.00017773"
                           z3="8.59295"
                           zFract="0.38672142"/>
                     <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="6.4816"
                           xFract="0.76796209"
                           y3="2.11579"
                           yFract="0.25068602"
                           z3="4.28715"
                           zFract="0.19294104"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33433"
                           xFract="0.75051303"
                           y3="2.10567"
                           yFract="0.24948697"
                           z3="8.56152"
                           zFract="0.38530693"/>
                     <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="-0.02341"
                           xFract="-0.0027737"
                           y3="6.34868"
                           yFract="0.75221327"
                           z3="6.32145"
                           zFract="0.2844937"/>
                     <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="2.09558"
                           xFract="0.24829147"
                           y3="4.21161"
                           yFract="0.49900592"
                           z3="6.3699"
                           zFract="0.28667417"/>
                     <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="0.02446"
                           xFract="0.0028981"
                           y3="4.0872"
                           yFract="0.4842654"
                           z3="4.28072"
                           zFract="0.19265167"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0360"
                           xFract="-0.0042654"
                           y3="4.2682"
                           yFract="0.5057109"
                           z3="8.46755"
                           zFract="0.38107786"/>
                     <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="2.05081"
                           xFract="0.24298697"
                           y3="6.27611"
                           yFract="0.74361493"
                           z3="4.33066"
                           zFract="0.19489919"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13753"
                           xFract="0.25326185"
                           y3="6.31594"
                           yFract="0.74833412"
                           z3="8.58849"
                           zFract="0.3865207"/>
                     <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="4.25216"
                           xFract="0.50381043"
                           y3="6.31695"
                           yFract="0.74845379"
                           z3="6.49309"
                           zFract="0.29221827"/>
                     <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="6.31597"
                           xFract="0.74833768"
                           y3="4.37941"
                           yFract="0.51888744"
                           z3="6.42949"
                           zFract="0.28935599"/>
                     <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="4.19952"
                           xFract="0.49757346"
                           y3="4.17084"
                           yFract="0.49417536"
                           z3="4.31643"
                           zFract="0.19425878"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21675"
                           xFract="0.49961493"
                           y3="4.19622"
                           yFract="0.49718246"
                           z3="8.56649"
                           zFract="0.3855306"/>
                     <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="6.41887"
                           xFract="0.76052962"
                           y3="6.33578"
                           yFract="0.75068483"
                           z3="4.23603"
                           zFract="0.19064041"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19794"
                           xFract="0.73435308"
                           y3="6.31274"
                           yFract="0.74795498"
                           z3="9.1219"
                           zFract="0.41052655"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33563"
                           xFract="0.75066706"
                           y3="6.3035"
                           yFract="0.74686019"
                           z3="10.08804"
                           zFract="0.4540072"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21466"
                           xFract="0.4993673"
                           y3="4.20727"
                           yFract="0.49849171"
                           z3="6.40207"
                           zFract="0.28812196"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31837"
                           xFract="0.74862204"
                           y3="6.34993"
                           yFract="0.75236137"
                           z3="6.27137"
                           zFract="0.28223987"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11912"
                           xFract="0.25108057"
                           y3="6.31992"
                           yFract="0.74880569"
                           z3="6.38056"
                           zFract="0.28715392"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02834"
                           xFract="0.00335782"
                           y3="2.12656"
                           yFract="0.25196209"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <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="-0.01606"
                           xFract="-0.00190284"
                           y3="2.09696"
                           yFract="0.24845498"
                           z3="8.43494"
                           zFract="0.37961026"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21741"
                           xFract="0.49969313"
                           y3="-0.03189"
                           yFract="-0.00377844"
                           z3="6.44534"
                           zFract="0.29006931"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07183"
                           xFract="0.24547749"
                           y3="0.00977"
                           yFract="0.00115758"
                           z3="8.47159"
                           zFract="0.38125968"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33926"
                           xFract="0.75109716"
                           y3="0.06867"
                           yFract="0.00813626"
                           z3="8.4959"
                           zFract="0.38235374"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0971"
                           xFract="0.24847156"
                           y3="2.07023"
                           yFract="0.24528791"
                           z3="6.32611"
                           zFract="0.28470342"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03349"
                           xFract="-0.00396801"
                           y3="4.22863"
                           yFract="0.50102251"
                           z3="6.34365"
                           zFract="0.2854928"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14366"
                           xFract="0.49095498"
                           y3="6.31529"
                           yFract="0.74825711"
                           z3="8.51094"
                           zFract="0.3830306"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08733"
                           xFract="0.24731398"
                           y3="4.18744"
                           yFract="0.49614218"
                           z3="8.42568"
                           zFract="0.37919352"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12234"
                           xFract="0.25146209"
                           y3="4.23944"
                           yFract="0.50230332"
                           z3="4.2425"
                           zFract="0.19093159"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32314"
                           xFract="0.7491872"
                           y3="4.13739"
                           yFract="0.49021209"
                           z3="8.45008"
                           zFract="0.38029163"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19899"
                           xFract="0.49751066"
                           y3="2.10084"
                           yFract="0.24891469"
                           z3="8.42983"
                           zFract="0.37938029"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21276"
                           xFract="0.49914218"
                           y3="6.33615"
                           yFract="0.75072867"
                           z3="4.28579"
                           zFract="0.19287984"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02333"
                           xFract="-0.00276422"
                           y3="0.01028"
                           yFract="0.00121801"
                           z3="6.34263"
                           zFract="0.28544689"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35778"
                           xFract="0.75329147"
                           y3="0.0168"
                           yFract="0.00199052"
                           z3="4.2877"
                           zFract="0.1929658"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10941"
                           xFract="0.24993009"
                           y3="-0.03349"
                           yFract="-0.00396801"
                           z3="4.24487"
                           zFract="0.19103825"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02285"
                           xFract="0.00270735"
                           y3="6.34854"
                           yFract="0.75219668"
                           z3="4.20406"
                           zFract="0.18920162"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3208"
                           xFract="0.74890995"
                           y3="2.07364"
                           yFract="0.24569194"
                           z3="6.39276"
                           zFract="0.28770297"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10993"
                           xFract="0.01302488"
                           y3="6.33176"
                           yFract="0.75020853"
                           z3="8.42833"
                           zFract="0.37931278"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30939"
                           xFract="0.74755806"
                           y3="4.22379"
                           yFract="0.50044905"
                           z3="4.24442"
                           zFract="0.191018"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23391"
                           xFract="0.5016481"
                           y3="2.07228"
                           yFract="0.24553081"
                           z3="4.24505"
                           zFract="0.19104635"/>
                     <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="0.04792"
                           xFract="0.00567773"
                           y3="2.1035"
                           yFract="0.24922986"
                           z3="6.34846"
                           zFract="0.28570927"/>
                     <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="2.26606"
                           xFract="0.26849052"
                           y3="-0.03774"
                           yFract="-0.00447156"
                           z3="6.42852"
                           zFract="0.28931233"/>
                     <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="0.02983"
                           xFract="0.00353436"
                           y3="0.17391"
                           yFract="0.02060545"
                           z3="4.23455"
                           zFract="0.19057381"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0365"
                           xFract="-0.00432464"
                           y3="-0.0648"
                           yFract="-0.00767773"
                           z3="8.57529"
                           zFract="0.38592664"/>
                     <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="1.99971"
                           xFract="0.23693246"
                           y3="2.17003"
                           yFract="0.25711256"
                           z3="4.2169"
                           zFract="0.18977948"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08279"
                           xFract="0.24677607"
                           y3="2.09885"
                           yFract="0.24867891"
                           z3="8.47988"
                           zFract="0.38163276"/>
                     <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="4.16031"
                           xFract="0.49292773"
                           y3="2.08171"
                           yFract="0.2466481"
                           z3="6.37366"
                           zFract="0.28684338"/>
                     <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="6.14367"
                           xFract="0.72792299"
                           y3="-0.1763"
                           yFract="-0.02088863"
                           z3="6.4980"
                           zFract="0.29243924"/>
                     <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="4.21845"
                           xFract="0.49981635"
                           y3="0.00994"
                           yFract="0.00117773"
                           z3="4.35797"
                           zFract="0.19612826"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21455"
                           xFract="0.49935427"
                           y3="0.00151"
                           yFract="0.00017891"
                           z3="8.59273"
                           zFract="0.38671152"/>
                     <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="6.48157"
                           xFract="0.76795853"
                           y3="2.11568"
                           yFract="0.25067299"
                           z3="4.2871"
                           zFract="0.19293879"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33427"
                           xFract="0.75050592"
                           y3="2.10553"
                           yFract="0.24947038"
                           z3="8.56119"
                           zFract="0.38529208"/>
                     <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="-0.02338"
                           xFract="-0.00277014"
                           y3="6.34847"
                           yFract="0.75218839"
                           z3="6.32148"
                           zFract="0.28449505"/>
                     <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="2.09574"
                           xFract="0.24831043"
                           y3="4.21173"
                           yFract="0.49902014"
                           z3="6.36977"
                           zFract="0.28666832"/>
                     <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="0.02448"
                           xFract="0.00290047"
                           y3="4.08715"
                           yFract="0.48425948"
                           z3="4.28054"
                           zFract="0.19264356"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03587"
                           xFract="-0.00425"
                           y3="4.26812"
                           yFract="0.50570142"
                           z3="8.46749"
                           zFract="0.38107516"/>
                     <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="2.05094"
                           xFract="0.24300237"
                           y3="6.2761"
                           yFract="0.74361374"
                           z3="4.33038"
                           zFract="0.19488659"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13738"
                           xFract="0.25324408"
                           y3="6.31599"
                           yFract="0.74834005"
                           z3="8.58818"
                           zFract="0.38650675"/>
                     <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="4.25218"
                           xFract="0.5038128"
                           y3="6.31711"
                           yFract="0.74847275"
                           z3="6.4930"
                           zFract="0.29221422"/>
                     <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="6.31587"
                           xFract="0.74832583"
                           y3="4.37931"
                           yFract="0.51887559"
                           z3="6.42925"
                           zFract="0.28934518"/>
                     <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="4.19951"
                           xFract="0.49757227"
                           y3="4.17105"
                           yFract="0.49420024"
                           z3="4.31631"
                           zFract="0.19425338"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21678"
                           xFract="0.49961848"
                           y3="4.19625"
                           yFract="0.49718602"
                           z3="8.56636"
                           zFract="0.38552475"/>
                     <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="6.41879"
                           xFract="0.76052014"
                           y3="6.33589"
                           yFract="0.75069787"
                           z3="4.23589"
                           zFract="0.19063411"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.1981"
                           xFract="0.73437204"
                           y3="6.31281"
                           yFract="0.74796327"
                           z3="9.12178"
                           zFract="0.41052115"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33559"
                           xFract="0.75066232"
                           y3="6.30343"
                           yFract="0.7468519"
                           z3="10.08838"
                           zFract="0.4540225"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21465"
                           xFract="0.49936611"
                           y3="4.20726"
                           yFract="0.49849052"
                           z3="6.40211"
                           zFract="0.28812376"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31836"
                           xFract="0.74862085"
                           y3="6.35005"
                           yFract="0.75237559"
                           z3="6.27144"
                           zFract="0.28224302"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11911"
                           xFract="0.25107938"
                           y3="6.31993"
                           yFract="0.74880687"
                           z3="6.38069"
                           zFract="0.28715977"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02849"
                           xFract="0.00337559"
                           y3="2.12654"
                           yFract="0.25195972"
                           z3="4.23745"
                           zFract="0.19070432"/>
                     <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="-0.01611"
                           xFract="-0.00190877"
                           y3="2.09696"
                           yFract="0.24845498"
                           z3="8.43499"
                           zFract="0.37961251"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21755"
                           xFract="0.49970972"
                           y3="-0.03192"
                           yFract="-0.00378199"
                           z3="6.44553"
                           zFract="0.29007786"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07177"
                           xFract="0.24547038"
                           y3="0.00973"
                           yFract="0.00115284"
                           z3="8.4717"
                           zFract="0.38126463"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33922"
                           xFract="0.75109242"
                           y3="0.06857"
                           yFract="0.00812441"
                           z3="8.49605"
                           zFract="0.38236049"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09709"
                           xFract="0.24847038"
                           y3="2.07022"
                           yFract="0.24528673"
                           z3="6.32617"
                           zFract="0.28470612"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03351"
                           xFract="-0.00397038"
                           y3="4.22862"
                           yFract="0.50102133"
                           z3="6.34375"
                           zFract="0.2854973"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14361"
                           xFract="0.49094905"
                           y3="6.31529"
                           yFract="0.74825711"
                           z3="8.51107"
                           zFract="0.38303645"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08728"
                           xFract="0.24730806"
                           y3="4.18748"
                           yFract="0.49614692"
                           z3="8.42575"
                           zFract="0.37919667"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12234"
                           xFract="0.25146209"
                           y3="4.23937"
                           yFract="0.50229502"
                           z3="4.24255"
                           zFract="0.19093384"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32312"
                           xFract="0.74918483"
                           y3="4.13745"
                           yFract="0.49021919"
                           z3="8.45024"
                           zFract="0.38029883"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19899"
                           xFract="0.49751066"
                           y3="2.10082"
                           yFract="0.24891232"
                           z3="8.42995"
                           zFract="0.37938569"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="6.33619"
                           yFract="0.75073341"
                           z3="4.28583"
                           zFract="0.19288164"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02335"
                           xFract="-0.00276659"
                           y3="0.01022"
                           yFract="0.0012109"
                           z3="6.34268"
                           zFract="0.28544914"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35781"
                           xFract="0.75329502"
                           y3="0.0168"
                           yFract="0.00199052"
                           z3="4.28776"
                           zFract="0.1929685"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10935"
                           xFract="0.24992299"
                           y3="-0.03352"
                           yFract="-0.00397156"
                           z3="4.24488"
                           zFract="0.1910387"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02286"
                           xFract="0.00270853"
                           y3="6.34857"
                           yFract="0.75220024"
                           z3="4.20408"
                           zFract="0.18920252"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32074"
                           xFract="0.74890284"
                           y3="2.07362"
                           yFract="0.24568957"
                           z3="6.39288"
                           zFract="0.28770837"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10988"
                           xFract="0.01301896"
                           y3="6.33174"
                           yFract="0.75020616"
                           z3="8.42845"
                           zFract="0.37931818"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30935"
                           xFract="0.74755332"
                           y3="4.22377"
                           yFract="0.50044668"
                           z3="4.24448"
                           zFract="0.1910207"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23397"
                           xFract="0.50165521"
                           y3="2.07222"
                           yFract="0.2455237"
                           z3="4.24506"
                           zFract="0.1910468"/>
                     <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="0.04788"
                           xFract="0.00567299"
                           y3="2.10335"
                           yFract="0.24921209"
                           z3="6.34854"
                           zFract="0.28571287"/>
                     <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="2.26616"
                           xFract="0.26850237"
                           y3="-0.03774"
                           yFract="-0.00447156"
                           z3="6.42856"
                           zFract="0.28931413"/>
                     <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="0.0297"
                           xFract="0.00351896"
                           y3="0.17398"
                           yFract="0.02061374"
                           z3="4.23462"
                           zFract="0.19057696"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03653"
                           xFract="-0.0043282"
                           y3="-0.06487"
                           yFract="-0.00768602"
                           z3="8.5753"
                           zFract="0.38592709"/>
                     <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="1.99966"
                           xFract="0.23692654"
                           y3="2.16992"
                           yFract="0.25709953"
                           z3="4.2170"
                           zFract="0.18978398"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08274"
                           xFract="0.24677014"
                           y3="2.09886"
                           yFract="0.24868009"
                           z3="8.47999"
                           zFract="0.38163771"/>
                     <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="4.16035"
                           xFract="0.49293246"
                           y3="2.08168"
                           yFract="0.24664455"
                           z3="6.37375"
                           zFract="0.28684743"/>
                     <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="6.14348"
                           xFract="0.72790047"
                           y3="-0.17636"
                           yFract="-0.02089573"
                           z3="6.49818"
                           zFract="0.29244734"/>
                     <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="4.21857"
                           xFract="0.49983057"
                           y3="0.00998"
                           yFract="0.00118246"
                           z3="4.35803"
                           zFract="0.19613096"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21449"
                           xFract="0.49934716"
                           y3="0.00151"
                           yFract="0.00017891"
                           z3="8.59282"
                           zFract="0.38671557"/>
                     <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="6.48158"
                           xFract="0.76795972"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="4.28712"
                           zFract="0.19293969"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3343"
                           xFract="0.75050948"
                           y3="2.10559"
                           yFract="0.24947749"
                           z3="8.56133"
                           zFract="0.38529838"/>
                     <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="-0.02339"
                           xFract="-0.00277133"
                           y3="6.34856"
                           yFract="0.75219905"
                           z3="6.32147"
                           zFract="0.2844946"/>
                     <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="2.09567"
                           xFract="0.24830213"
                           y3="4.21168"
                           yFract="0.49901422"
                           z3="6.36983"
                           zFract="0.28667102"/>
                     <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="0.02447"
                           xFract="0.00289929"
                           y3="4.08717"
                           yFract="0.48426185"
                           z3="4.28062"
                           zFract="0.19264716"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03593"
                           xFract="-0.00425711"
                           y3="4.26816"
                           yFract="0.50570616"
                           z3="8.46752"
                           zFract="0.38107651"/>
                     <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="2.05089"
                           xFract="0.24299645"
                           y3="6.27611"
                           yFract="0.74361493"
                           z3="4.3305"
                           zFract="0.19489199"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13744"
                           xFract="0.25325118"
                           y3="6.31597"
                           yFract="0.74833768"
                           z3="8.58831"
                           zFract="0.3865126"/>
                     <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="4.25217"
                           xFract="0.50381161"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="6.49304"
                           zFract="0.29221602"/>
                     <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="6.31591"
                           xFract="0.74833057"
                           y3="4.37935"
                           yFract="0.51888033"
                           z3="6.42935"
                           zFract="0.28934968"/>
                     <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="4.19952"
                           xFract="0.49757346"
                           y3="4.17096"
                           yFract="0.49418957"
                           z3="4.31636"
                           zFract="0.19425563"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="4.19623"
                           yFract="0.49718365"
                           z3="8.56642"
                           zFract="0.38552745"/>
                     <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="6.41882"
                           xFract="0.7605237"
                           y3="6.33585"
                           yFract="0.75069313"
                           z3="4.23595"
                           zFract="0.19063681"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19803"
                           xFract="0.73436374"
                           y3="6.31278"
                           yFract="0.74795972"
                           z3="9.12183"
                           zFract="0.4105234"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33551"
                           xFract="0.75065284"
                           y3="6.30332"
                           yFract="0.74683886"
                           z3="10.08903"
                           zFract="0.45405176"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21475"
                           xFract="0.49937796"
                           y3="4.20726"
                           yFract="0.49849052"
                           z3="6.40232"
                           zFract="0.28813321"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31835"
                           xFract="0.74861967"
                           y3="6.3499"
                           yFract="0.75235782"
                           z3="6.27153"
                           zFract="0.28224707"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11908"
                           xFract="0.25107583"
                           y3="6.31992"
                           yFract="0.74880569"
                           z3="6.38084"
                           zFract="0.28716652"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02811"
                           xFract="0.00333057"
                           y3="2.12672"
                           yFract="0.25198104"
                           z3="4.23748"
                           zFract="0.19070567"/>
                     <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="-0.01612"
                           xFract="-0.00190995"
                           y3="2.09694"
                           yFract="0.24845261"
                           z3="8.43517"
                           zFract="0.37962061"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21714"
                           xFract="0.49966114"
                           y3="-0.03203"
                           yFract="-0.00379502"
                           z3="6.44583"
                           zFract="0.29009136"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07172"
                           xFract="0.24546445"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="8.4719"
                           zFract="0.38127363"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33917"
                           xFract="0.75108649"
                           y3="0.06852"
                           yFract="0.00811848"
                           z3="8.49645"
                           zFract="0.38237849"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09712"
                           xFract="0.24847393"
                           y3="2.07004"
                           yFract="0.2452654"
                           z3="6.32649"
                           zFract="0.28472052"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0336"
                           xFract="-0.00398104"
                           y3="4.22866"
                           yFract="0.50102607"
                           z3="6.34373"
                           zFract="0.2854964"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14359"
                           xFract="0.49094668"
                           y3="6.31523"
                           yFract="0.74825"
                           z3="8.51119"
                           zFract="0.38304185"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08725"
                           xFract="0.2473045"
                           y3="4.18742"
                           yFract="0.49613981"
                           z3="8.4260"
                           zFract="0.37920792"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12227"
                           xFract="0.25145379"
                           y3="4.23937"
                           yFract="0.50229502"
                           z3="4.24271"
                           zFract="0.19094104"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32304"
                           xFract="0.74917536"
                           y3="4.13756"
                           yFract="0.49023223"
                           z3="8.45045"
                           zFract="0.38030828"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.1989"
                           xFract="0.4975"
                           y3="2.10083"
                           yFract="0.24891351"
                           z3="8.43028"
                           zFract="0.37940054"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21277"
                           xFract="0.49914336"
                           y3="6.33628"
                           yFract="0.75074408"
                           z3="4.28594"
                           zFract="0.19288659"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02335"
                           xFract="-0.00276659"
                           y3="0.01012"
                           yFract="0.00119905"
                           z3="6.34272"
                           zFract="0.28545095"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35788"
                           xFract="0.75330332"
                           y3="0.01683"
                           yFract="0.00199408"
                           z3="4.28792"
                           zFract="0.1929757"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10929"
                           xFract="0.24991588"
                           y3="-0.03366"
                           yFract="-0.00398815"
                           z3="4.24503"
                           zFract="0.19104545"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0229"
                           xFract="0.00271327"
                           y3="6.3485"
                           yFract="0.75219194"
                           z3="4.20414"
                           zFract="0.18920522"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32061"
                           xFract="0.74888744"
                           y3="2.07364"
                           yFract="0.24569194"
                           z3="6.39305"
                           zFract="0.28771602"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10984"
                           xFract="0.01301422"
                           y3="6.33169"
                           yFract="0.75020024"
                           z3="8.42855"
                           zFract="0.37932268"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30936"
                           xFract="0.7475545"
                           y3="4.22376"
                           yFract="0.5004455"
                           z3="4.24464"
                           zFract="0.1910279"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23409"
                           xFract="0.50166943"
                           y3="2.07213"
                           yFract="0.24551303"
                           z3="4.24509"
                           zFract="0.19104815"/>
                     <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="0.04783"
                           xFract="0.00566706"
                           y3="2.10316"
                           yFract="0.24918957"
                           z3="6.34877"
                           zFract="0.28572322"/>
                     <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="2.26652"
                           xFract="0.26854502"
                           y3="-0.03775"
                           yFract="-0.00447275"
                           z3="6.42876"
                           zFract="0.28932313"/>
                     <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="0.02941"
                           xFract="0.0034846"
                           y3="0.17407"
                           yFract="0.02062441"
                           z3="4.23477"
                           zFract="0.19058371"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0367"
                           xFract="-0.00434834"
                           y3="-0.06506"
                           yFract="-0.00770853"
                           z3="8.57544"
                           zFract="0.38593339"/>
                     <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="1.99968"
                           xFract="0.23692891"
                           y3="2.16977"
                           yFract="0.25708175"
                           z3="4.21712"
                           zFract="0.18978938"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08261"
                           xFract="0.24675474"
                           y3="2.09885"
                           yFract="0.24867891"
                           z3="8.48018"
                           zFract="0.38164626"/>
                     <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="4.16038"
                           xFract="0.49293602"
                           y3="2.0817"
                           yFract="0.24664692"
                           z3="6.37405"
                           zFract="0.28686094"/>
                     <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="6.14349"
                           xFract="0.72790166"
                           y3="-0.17633"
                           yFract="-0.02089218"
                           z3="6.4986"
                           zFract="0.29246625"/>
                     <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="4.21895"
                           xFract="0.49987559"
                           y3="0.01004"
                           yFract="0.00118957"
                           z3="4.35821"
                           zFract="0.19613906"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21443"
                           xFract="0.49934005"
                           y3="0.00159"
                           yFract="0.00018839"
                           z3="8.59311"
                           zFract="0.38672862"/>
                     <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="6.48188"
                           xFract="0.76799526"
                           y3="2.11587"
                           yFract="0.2506955"
                           z3="4.28723"
                           zFract="0.19294464"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33425"
                           xFract="0.75050355"
                           y3="2.10551"
                           yFract="0.24946801"
                           z3="8.56167"
                           zFract="0.38531368"/>
                     <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="-0.0234"
                           xFract="-0.00277251"
                           y3="6.34878"
                           yFract="0.75222512"
                           z3="6.32146"
                           zFract="0.28449415"/>
                     <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="2.09555"
                           xFract="0.24828791"
                           y3="4.21153"
                           yFract="0.49899645"
                           z3="6.37001"
                           zFract="0.28667912"/>
                     <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="0.02456"
                           xFract="0.00290995"
                           y3="4.08698"
                           yFract="0.48423934"
                           z3="4.28085"
                           zFract="0.19265752"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03598"
                           xFract="-0.00426303"
                           y3="4.26833"
                           yFract="0.5057263"
                           z3="8.46763"
                           zFract="0.38108146"/>
                     <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="2.05087"
                           xFract="0.24299408"
                           y3="6.27616"
                           yFract="0.74362085"
                           z3="4.33073"
                           zFract="0.19490234"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13738"
                           xFract="0.25324408"
                           y3="6.31593"
                           yFract="0.74833294"
                           z3="8.58857"
                           zFract="0.3865243"/>
                     <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="4.25208"
                           xFract="0.50380095"
                           y3="6.31685"
                           yFract="0.74844194"
                           z3="6.49306"
                           zFract="0.29221692"/>
                     <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="6.31588"
                           xFract="0.74832701"
                           y3="4.37957"
                           yFract="0.5189064"
                           z3="6.42946"
                           zFract="0.28935464"/>
                     <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="4.19948"
                           xFract="0.49756872"
                           y3="4.17075"
                           yFract="0.49416469"
                           z3="4.31646"
                           zFract="0.19426013"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21672"
                           xFract="0.49961137"
                           y3="4.19609"
                           yFract="0.49716706"
                           z3="8.5665"
                           zFract="0.38553105"/>
                     <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="6.41888"
                           xFract="0.76053081"
                           y3="6.33576"
                           yFract="0.75068246"
                           z3="4.23604"
                           zFract="0.19064086"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19786"
                           xFract="0.7343436"
                           y3="6.31273"
                           yFract="0.74795379"
                           z3="9.12225"
                           zFract="0.4105423"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33526"
                           xFract="0.75062322"
                           y3="6.30298"
                           yFract="0.74679858"
                           z3="10.09098"
                           zFract="0.45413951"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21506"
                           xFract="0.49941469"
                           y3="4.20726"
                           yFract="0.49849052"
                           z3="6.40296"
                           zFract="0.28816202"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31831"
                           xFract="0.74861493"
                           y3="6.34945"
                           yFract="0.7523045"
                           z3="6.2718"
                           zFract="0.28225923"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1190"
                           xFract="0.25106635"
                           y3="6.31987"
                           yFract="0.74879976"
                           z3="6.38126"
                           zFract="0.28718542"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02696"
                           xFract="0.00319431"
                           y3="2.12726"
                           yFract="0.25204502"
                           z3="4.23758"
                           zFract="0.19071017"/>
                     <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="-0.01614"
                           xFract="-0.00191232"
                           y3="2.09689"
                           yFract="0.24844668"
                           z3="8.43572"
                           zFract="0.37964536"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="-0.03236"
                           yFract="-0.00383412"
                           z3="6.44674"
                           zFract="0.29013231"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07155"
                           xFract="0.24544431"
                           y3="0.00984"
                           yFract="0.00116588"
                           z3="8.47249"
                           zFract="0.38130018"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33901"
                           xFract="0.75106754"
                           y3="0.06838"
                           yFract="0.0081019"
                           z3="8.49763"
                           zFract="0.38243159"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0972"
                           xFract="0.24848341"
                           y3="2.06951"
                           yFract="0.24520261"
                           z3="6.32747"
                           zFract="0.28476463"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03389"
                           xFract="-0.0040154"
                           y3="4.22879"
                           yFract="0.50104147"
                           z3="6.34367"
                           zFract="0.2854937"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14352"
                           xFract="0.49093839"
                           y3="6.31503"
                           yFract="0.7482263"
                           z3="8.51158"
                           zFract="0.38305941"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08716"
                           xFract="0.24729384"
                           y3="4.18723"
                           yFract="0.4961173"
                           z3="8.42674"
                           zFract="0.37924122"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12204"
                           xFract="0.25142654"
                           y3="4.23936"
                           yFract="0.50229384"
                           z3="4.24318"
                           zFract="0.1909622"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32279"
                           xFract="0.74914573"
                           y3="4.1379"
                           yFract="0.49027251"
                           z3="8.45108"
                           zFract="0.38033663"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19862"
                           xFract="0.49746682"
                           y3="2.10085"
                           yFract="0.24891588"
                           z3="8.43126"
                           zFract="0.37944464"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21271"
                           xFract="0.49913626"
                           y3="6.33653"
                           yFract="0.7507737"
                           z3="4.28625"
                           zFract="0.19290054"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02332"
                           xFract="-0.00276303"
                           y3="0.0098"
                           yFract="0.00116114"
                           z3="6.34287"
                           zFract="0.2854577"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35809"
                           xFract="0.7533282"
                           y3="0.01692"
                           yFract="0.00200474"
                           z3="4.28839"
                           zFract="0.19299685"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10911"
                           xFract="0.24989455"
                           y3="-0.03408"
                           yFract="-0.00403791"
                           z3="4.24545"
                           zFract="0.19106436"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02304"
                           xFract="0.00272986"
                           y3="6.34828"
                           yFract="0.75216588"
                           z3="4.20432"
                           zFract="0.18921332"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.32022"
                           xFract="0.74884123"
                           y3="2.07369"
                           yFract="0.24569787"
                           z3="6.39355"
                           zFract="0.28773852"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10974"
                           xFract="0.01300237"
                           y3="6.33151"
                           yFract="0.75017891"
                           z3="8.42885"
                           zFract="0.37933618"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30939"
                           xFract="0.74755806"
                           y3="4.22376"
                           yFract="0.5004455"
                           z3="4.24511"
                           zFract="0.19104905"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23445"
                           xFract="0.50171209"
                           y3="2.07185"
                           yFract="0.24547986"
                           z3="4.24518"
                           zFract="0.19105221"/>
                     <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="0.04765"
                           xFract="0.00564573"
                           y3="2.10258"
                           yFract="0.24912085"
                           z3="6.34943"
                           zFract="0.28575293"/>
                     <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="2.26762"
                           xFract="0.26867536"
                           y3="-0.03776"
                           yFract="-0.00447393"
                           z3="6.42938"
                           zFract="0.28935104"/>
                     <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="0.02856"
                           xFract="0.00338389"
                           y3="0.17436"
                           yFract="0.02065877"
                           z3="4.2352"
                           zFract="0.19060306"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03722"
                           xFract="-0.00440995"
                           y3="-0.06563"
                           yFract="-0.00777607"
                           z3="8.57585"
                           zFract="0.38595185"/>
                     <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="1.99977"
                           xFract="0.23693957"
                           y3="2.1693"
                           yFract="0.25702607"
                           z3="4.21749"
                           zFract="0.18980603"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08222"
                           xFract="0.24670853"
                           y3="2.09883"
                           yFract="0.24867654"
                           z3="8.48075"
                           zFract="0.38167192"/>
                     <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="4.16048"
                           xFract="0.49294787"
                           y3="2.08176"
                           yFract="0.24665403"
                           z3="6.37498"
                           zFract="0.28690279"/>
                     <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="6.1435"
                           xFract="0.72790284"
                           y3="-0.17625"
                           yFract="-0.0208827"
                           z3="6.49986"
                           zFract="0.29252295"/>
                     <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="4.22011"
                           xFract="0.50001303"
                           y3="0.01023"
                           yFract="0.00121209"
                           z3="4.35874"
                           zFract="0.19616292"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21426"
                           xFract="0.49931991"
                           y3="0.00183"
                           yFract="0.00021682"
                           z3="8.59396"
                           zFract="0.38676688"/>
                     <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="6.48276"
                           xFract="0.76809953"
                           y3="2.11629"
                           yFract="0.25074526"
                           z3="4.28758"
                           zFract="0.1929604"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33412"
                           xFract="0.75048815"
                           y3="2.10528"
                           yFract="0.24944076"
                           z3="8.56268"
                           zFract="0.38535914"/>
                     <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="-0.02342"
                           xFract="-0.00277488"
                           y3="6.34945"
                           yFract="0.7523045"
                           z3="6.32146"
                           zFract="0.28449415"/>
                     <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="2.09518"
                           xFract="0.24824408"
                           y3="4.2111"
                           yFract="0.4989455"
                           z3="6.37055"
                           zFract="0.28670342"/>
                     <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="0.02481"
                           xFract="0.00293957"
                           y3="4.08641"
                           yFract="0.4841718"
                           z3="4.28154"
                           zFract="0.19268857"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03614"
                           xFract="-0.00428199"
                           y3="4.26883"
                           yFract="0.50578555"
                           z3="8.46799"
                           zFract="0.38109766"/>
                     <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="2.05082"
                           xFract="0.24298815"
                           y3="6.27634"
                           yFract="0.74364218"
                           z3="4.33143"
                           zFract="0.19493384"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13719"
                           xFract="0.25322156"
                           y3="6.31582"
                           yFract="0.74831991"
                           z3="8.58935"
                           zFract="0.38655941"/>
                     <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="4.25181"
                           xFract="0.50376896"
                           y3="6.31628"
                           yFract="0.74837441"
                           z3="6.49312"
                           zFract="0.29221962"/>
                     <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="6.31579"
                           xFract="0.74831635"
                           y3="4.38024"
                           yFract="0.51898578"
                           z3="6.42979"
                           zFract="0.28936949"/>
                     <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="4.19938"
                           xFract="0.49755687"
                           y3="4.17011"
                           yFract="0.49408886"
                           z3="4.31673"
                           zFract="0.19427228"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21656"
                           xFract="0.49959242"
                           y3="4.19565"
                           yFract="0.49711493"
                           z3="8.56675"
                           zFract="0.3855423"/>
                     <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="6.41904"
                           xFract="0.76054976"
                           y3="6.3355"
                           yFract="0.75065166"
                           z3="4.23632"
                           zFract="0.19065347"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19734"
                           xFract="0.73428199"
                           y3="6.31258"
                           yFract="0.74793602"
                           z3="9.12352"
                           zFract="0.41059946"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33478"
                           xFract="0.75056635"
                           y3="6.3023"
                           yFract="0.74671801"
                           z3="10.09488"
                           zFract="0.45431503"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21568"
                           xFract="0.49948815"
                           y3="4.20725"
                           yFract="0.49848934"
                           z3="6.40425"
                           zFract="0.28822007"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31824"
                           xFract="0.74860664"
                           y3="6.34855"
                           yFract="0.75219787"
                           z3="6.27233"
                           zFract="0.28228308"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11884"
                           xFract="0.25104739"
                           y3="6.31977"
                           yFract="0.74878791"
                           z3="6.38212"
                           zFract="0.28722412"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02467"
                           xFract="0.00292299"
                           y3="2.12834"
                           yFract="0.25217299"
                           z3="4.23779"
                           zFract="0.19071962"/>
                     <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="-0.01617"
                           xFract="-0.00191588"
                           y3="2.09679"
                           yFract="0.24843483"
                           z3="8.43681"
                           zFract="0.37969442"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21341"
                           xFract="0.49921919"
                           y3="-0.03302"
                           yFract="-0.00391232"
                           z3="6.44855"
                           zFract="0.29021377"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07122"
                           xFract="0.24540521"
                           y3="0.0100"
                           yFract="0.00118483"
                           z3="8.47366"
                           zFract="0.38135284"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3387"
                           xFract="0.75103081"
                           y3="0.06809"
                           yFract="0.00806754"
                           z3="8.49999"
                           zFract="0.3825378"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09736"
                           xFract="0.24850237"
                           y3="2.06843"
                           yFract="0.24507464"
                           z3="6.32941"
                           zFract="0.28485194"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03445"
                           xFract="-0.00408175"
                           y3="4.22904"
                           yFract="0.50107109"
                           z3="6.34355"
                           zFract="0.2854883"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14339"
                           xFract="0.49092299"
                           y3="6.31465"
                           yFract="0.74818128"
                           z3="8.51235"
                           zFract="0.38309406"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08698"
                           xFract="0.24727251"
                           y3="4.18687"
                           yFract="0.49607464"
                           z3="8.42821"
                           zFract="0.37930738"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12159"
                           xFract="0.25137322"
                           y3="4.23934"
                           yFract="0.50229147"
                           z3="4.24413"
                           zFract="0.19100495"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32229"
                           xFract="0.74908649"
                           y3="4.13856"
                           yFract="0.49035071"
                           z3="8.45233"
                           zFract="0.38039289"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19807"
                           xFract="0.49740166"
                           y3="2.10088"
                           yFract="0.24891943"
                           z3="8.43323"
                           zFract="0.3795333"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21258"
                           xFract="0.49912085"
                           y3="6.33704"
                           yFract="0.75083412"
                           z3="4.28687"
                           zFract="0.19292844"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02328"
                           xFract="-0.00275829"
                           y3="0.00918"
                           yFract="0.00108768"
                           z3="6.34316"
                           zFract="0.28547075"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3585"
                           xFract="0.75337678"
                           y3="0.01711"
                           yFract="0.00202725"
                           z3="4.28934"
                           zFract="0.1930396"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10876"
                           xFract="0.24985308"
                           y3="-0.03491"
                           yFract="-0.00413626"
                           z3="4.24631"
                           zFract="0.19110306"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0233"
                           xFract="0.00276066"
                           y3="6.34786"
                           yFract="0.75211611"
                           z3="4.20468"
                           zFract="0.18922952"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31944"
                           xFract="0.74874882"
                           y3="2.0738"
                           yFract="0.2457109"
                           z3="6.39455"
                           zFract="0.28778353"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10952"
                           xFract="0.0129763"
                           y3="6.33116"
                           yFract="0.75013744"
                           z3="8.42946"
                           zFract="0.37936364"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30944"
                           xFract="0.74756398"
                           y3="4.22374"
                           yFract="0.50044313"
                           z3="4.24606"
                           zFract="0.19109181"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23517"
                           xFract="0.50179739"
                           y3="2.07128"
                           yFract="0.24541232"
                           z3="4.24536"
                           zFract="0.19106031"/>
                     <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="0.04731"
                           xFract="0.00560545"
                           y3="2.10142"
                           yFract="0.24898341"
                           z3="6.35075"
                           zFract="0.28581233"/>
                     <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="2.26981"
                           xFract="0.26893483"
                           y3="-0.03777"
                           yFract="-0.00447512"
                           z3="6.4306"
                           zFract="0.28940594"/>
                     <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="0.02684"
                           xFract="0.00318009"
                           y3="0.17492"
                           yFract="0.02072512"
                           z3="4.23607"
                           zFract="0.19064221"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03824"
                           xFract="-0.00453081"
                           y3="-0.06677"
                           yFract="-0.00791114"
                           z3="8.57667"
                           zFract="0.38598875"/>
                     <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="1.99993"
                           xFract="0.23695853"
                           y3="2.16837"
                           yFract="0.25691588"
                           z3="4.21823"
                           zFract="0.18983933"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08144"
                           xFract="0.24661611"
                           y3="2.0988"
                           yFract="0.24867299"
                           z3="8.48188"
                           zFract="0.38172277"/>
                     <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="4.16067"
                           xFract="0.49297038"
                           y3="2.08187"
                           yFract="0.24666706"
                           z3="6.37683"
                           zFract="0.28698605"/>
                     <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="6.14353"
                           xFract="0.7279064"
                           y3="-0.17608"
                           yFract="-0.02086256"
                           z3="6.50238"
                           zFract="0.29263636"/>
                     <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="4.22243"
                           xFract="0.50028791"
                           y3="0.01059"
                           yFract="0.00125474"
                           z3="4.3598"
                           zFract="0.19621062"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21392"
                           xFract="0.49927962"
                           y3="0.00231"
                           yFract="0.0002737"
                           z3="8.59565"
                           zFract="0.38684293"/>
                     <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="6.48453"
                           xFract="0.76830924"
                           y3="2.11713"
                           yFract="0.25084479"
                           z3="4.28827"
                           zFract="0.19299145"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33386"
                           xFract="0.75045735"
                           y3="2.10481"
                           yFract="0.24938507"
                           z3="8.56472"
                           zFract="0.38545095"/>
                     <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="-0.02345"
                           xFract="-0.00277844"
                           y3="6.35079"
                           yFract="0.75246327"
                           z3="6.32145"
                           zFract="0.2844937"/>
                     <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="2.09444"
                           xFract="0.2481564"
                           y3="4.21023"
                           yFract="0.49884242"
                           z3="6.37164"
                           zFract="0.28675248"/>
                     <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="0.0253"
                           xFract="0.00299763"
                           y3="4.08528"
                           yFract="0.48403791"
                           z3="4.28292"
                           zFract="0.19275068"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03646"
                           xFract="-0.00431991"
                           y3="4.26985"
                           yFract="0.5059064"
                           z3="8.46869"
                           zFract="0.38112916"/>
                     <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="2.05073"
                           xFract="0.24297749"
                           y3="6.27669"
                           yFract="0.74368365"
                           z3="4.33284"
                           zFract="0.1949973"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1368"
                           xFract="0.25317536"
                           y3="6.31559"
                           yFract="0.74829265"
                           z3="8.59091"
                           zFract="0.38662961"/>
                     <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="4.25126"
                           xFract="0.50370379"
                           y3="6.31513"
                           yFract="0.74823815"
                           z3="6.49323"
                           zFract="0.29222457"/>
                     <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="4.38156"
                           yFract="0.51914218"
                           z3="6.43046"
                           zFract="0.28939964"/>
                     <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="4.19917"
                           xFract="0.49753199"
                           y3="4.16884"
                           yFract="0.49393839"
                           z3="4.31729"
                           zFract="0.19429748"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21625"
                           xFract="0.49955569"
                           y3="4.19478"
                           yFract="0.49701185"
                           z3="8.56724"
                           zFract="0.38556436"/>
                     <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="6.41937"
                           xFract="0.76058886"
                           y3="6.33497"
                           yFract="0.75058886"
                           z3="4.23688"
                           zFract="0.19067867"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19629"
                           xFract="0.73415758"
                           y3="6.31229"
                           yFract="0.74790166"
                           z3="9.12605"
                           zFract="0.41071332"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33381"
                           xFract="0.75045142"
                           y3="6.30095"
                           yFract="0.74655806"
                           z3="10.10269"
                           zFract="0.45466652"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21691"
                           xFract="0.49963389"
                           y3="4.20724"
                           yFract="0.49848815"
                           z3="6.40681"
                           zFract="0.28833528"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="6.34674"
                           yFract="0.75198341"
                           z3="6.27341"
                           zFract="0.28233168"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11851"
                           xFract="0.25100829"
                           y3="6.31958"
                           yFract="0.7487654"
                           z3="6.38384"
                           zFract="0.28730153"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02008"
                           xFract="0.00237915"
                           y3="2.13051"
                           yFract="0.25243009"
                           z3="4.23821"
                           zFract="0.19073852"/>
                     <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="-0.01624"
                           xFract="-0.00192417"
                           y3="2.0966"
                           yFract="0.24841232"
                           z3="8.43898"
                           zFract="0.37979208"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20843"
                           xFract="0.49862915"
                           y3="-0.03435"
                           yFract="-0.00406991"
                           z3="6.45217"
                           zFract="0.29037669"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07056"
                           xFract="0.24532701"
                           y3="0.01032"
                           yFract="0.00122275"
                           z3="8.47601"
                           zFract="0.3814586"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33806"
                           xFract="0.75095498"
                           y3="0.0675"
                           yFract="0.00799763"
                           z3="8.50472"
                           zFract="0.38275068"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09768"
                           xFract="0.24854028"
                           y3="2.06629"
                           yFract="0.24482109"
                           z3="6.33331"
                           zFract="0.28502745"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03558"
                           xFract="-0.00421564"
                           y3="4.22955"
                           yFract="0.50113152"
                           z3="6.3433"
                           zFract="0.28547705"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14313"
                           xFract="0.49089218"
                           y3="6.31387"
                           yFract="0.74808886"
                           z3="8.5139"
                           zFract="0.38316382"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08663"
                           xFract="0.24723104"
                           y3="4.18614"
                           yFract="0.49598815"
                           z3="8.43115"
                           zFract="0.37943969"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1207"
                           xFract="0.25126777"
                           y3="4.23931"
                           yFract="0.50228791"
                           z3="4.24603"
                           zFract="0.19109046"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32129"
                           xFract="0.74896801"
                           y3="4.1399"
                           yFract="0.49050948"
                           z3="8.45482"
                           zFract="0.38050495"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19696"
                           xFract="0.49727014"
                           y3="2.10096"
                           yFract="0.24892891"
                           z3="8.43717"
                           zFract="0.37971062"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21233"
                           xFract="0.49909123"
                           y3="6.33806"
                           yFract="0.75095498"
                           z3="4.28812"
                           zFract="0.1929847"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02319"
                           xFract="-0.00274763"
                           y3="0.00793"
                           yFract="0.00093957"
                           z3="6.34374"
                           zFract="0.28549685"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35932"
                           xFract="0.75347393"
                           y3="0.0175"
                           yFract="0.00207346"
                           z3="4.29123"
                           zFract="0.19312466"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10805"
                           xFract="0.24976896"
                           y3="-0.03657"
                           yFract="-0.00433294"
                           z3="4.24802"
                           zFract="0.19118002"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02382"
                           xFract="0.00282227"
                           y3="6.3470"
                           yFract="0.75201422"
                           z3="4.20541"
                           zFract="0.18926238"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31788"
                           xFract="0.74856398"
                           y3="2.07402"
                           yFract="0.24573697"
                           z3="6.39656"
                           zFract="0.28787399"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.1091"
                           xFract="0.01292654"
                           y3="6.33046"
                           yFract="0.7500545"
                           z3="8.43066"
                           zFract="0.37941764"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30954"
                           xFract="0.74757583"
                           y3="4.22371"
                           yFract="0.50043957"
                           z3="4.24796"
                           zFract="0.19117732"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23661"
                           xFract="0.50196801"
                           y3="2.07015"
                           yFract="0.24527844"
                           z3="4.24572"
                           zFract="0.19107651"/>
                     <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="0.04661"
                           xFract="0.00552251"
                           y3="2.0991"
                           yFract="0.24870853"
                           z3="6.3534"
                           zFract="0.28593159"/>
                     <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="2.27419"
                           xFract="0.26945379"
                           y3="-0.03781"
                           yFract="-0.00447986"
                           z3="6.43305"
                           zFract="0.2895162"/>
                     <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="0.02341"
                           xFract="0.0027737"
                           y3="0.17604"
                           yFract="0.02085782"
                           z3="4.23781"
                           zFract="0.19072052"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04029"
                           xFract="-0.0047737"
                           y3="-0.06905"
                           yFract="-0.00818128"
                           z3="8.5783"
                           zFract="0.38606211"/>
                     <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="2.00025"
                           xFract="0.23699645"
                           y3="2.1665"
                           yFract="0.25669431"
                           z3="4.21971"
                           zFract="0.18990594"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07989"
                           xFract="0.24643246"
                           y3="2.09873"
                           yFract="0.24866469"
                           z3="8.48416"
                           zFract="0.38182538"/>
                     <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="4.16106"
                           xFract="0.49301659"
                           y3="2.0821"
                           yFract="0.24669431"
                           z3="6.38053"
                           zFract="0.28715257"/>
                     <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="6.14359"
                           xFract="0.72791351"
                           y3="-0.17574"
                           yFract="-0.02082227"
                           z3="6.50742"
                           zFract="0.29286319"/>
                     <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="4.22705"
                           xFract="0.50083531"
                           y3="0.01132"
                           yFract="0.00134123"
                           z3="4.36193"
                           zFract="0.19630648"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21325"
                           xFract="0.49920024"
                           y3="0.00327"
                           yFract="0.00038744"
                           z3="8.59905"
                           zFract="0.38699595"/>
                     <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="6.48806"
                           xFract="0.76872749"
                           y3="2.11882"
                           yFract="0.25104502"
                           z3="4.28965"
                           zFract="0.19305356"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33333"
                           xFract="0.75039455"
                           y3="2.10387"
                           yFract="0.2492737"
                           z3="8.56878"
                           zFract="0.38563366"/>
                     <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="-0.02353"
                           xFract="-0.00278791"
                           y3="6.35347"
                           yFract="0.75278081"
                           z3="6.32143"
                           zFract="0.2844928"/>
                     <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="2.09296"
                           xFract="0.24798104"
                           y3="4.20849"
                           yFract="0.49863626"
                           z3="6.37381"
                           zFract="0.28685014"/>
                     <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="0.0263"
                           xFract="0.00311611"
                           y3="4.0830"
                           yFract="0.48376777"
                           z3="4.28568"
                           zFract="0.19287489"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0371"
                           xFract="-0.00439573"
                           y3="4.27189"
                           yFract="0.5061481"
                           z3="8.4701"
                           zFract="0.38119262"/>
                     <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="2.05053"
                           xFract="0.24295379"
                           y3="6.2774"
                           yFract="0.74376777"
                           z3="4.33565"
                           zFract="0.19512376"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13603"
                           xFract="0.25308412"
                           y3="6.31514"
                           yFract="0.74823934"
                           z3="8.59402"
                           zFract="0.38676958"/>
                     <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="4.25017"
                           xFract="0.50357464"
                           y3="6.31283"
                           yFract="0.74796564"
                           z3="6.49347"
                           zFract="0.29223537"/>
                     <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="6.31523"
                           xFract="0.74825"
                           y3="4.38421"
                           yFract="0.51945616"
                           z3="6.43178"
                           zFract="0.28945905"/>
                     <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="4.19875"
                           xFract="0.49748223"
                           y3="4.16629"
                           yFract="0.49363626"
                           z3="4.3184"
                           zFract="0.19434743"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21562"
                           xFract="0.49948104"
                           y3="4.19304"
                           yFract="0.49680569"
                           z3="8.56823"
                           zFract="0.38560891"/>
                     <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="6.42002"
                           xFract="0.76066588"
                           y3="6.33393"
                           yFract="0.75046564"
                           z3="4.23799"
                           zFract="0.19072862"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19421"
                           xFract="0.73391114"
                           y3="6.31171"
                           yFract="0.74783294"
                           z3="9.13112"
                           zFract="0.41094149"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33421"
                           xFract="0.75049882"
                           y3="6.3015"
                           yFract="0.74662322"
                           z3="10.09951"
                           zFract="0.4545234"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21641"
                           xFract="0.49957464"
                           y3="4.20724"
                           yFract="0.49848815"
                           z3="6.40576"
                           zFract="0.28828803"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31816"
                           xFract="0.74859716"
                           y3="6.34747"
                           yFract="0.75206991"
                           z3="6.27297"
                           zFract="0.28231188"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11864"
                           xFract="0.2510237"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="6.38314"
                           zFract="0.28727003"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02196"
                           xFract="0.0026019"
                           y3="2.12963"
                           yFract="0.25232583"
                           z3="4.23804"
                           zFract="0.19073087"/>
                     <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="-0.01621"
                           xFract="-0.00192062"
                           y3="2.09668"
                           yFract="0.2484218"
                           z3="8.4381"
                           zFract="0.37975248"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21046"
                           xFract="0.49886967"
                           y3="-0.03381"
                           yFract="-0.00400592"
                           z3="6.45069"
                           zFract="0.29031008"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07083"
                           xFract="0.245359"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="8.47505"
                           zFract="0.38141539"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33832"
                           xFract="0.75098578"
                           y3="0.06774"
                           yFract="0.00802607"
                           z3="8.50279"
                           zFract="0.38266382"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09755"
                           xFract="0.24852488"
                           y3="2.06716"
                           yFract="0.24492417"
                           z3="6.33172"
                           zFract="0.2849559"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03512"
                           xFract="-0.00416114"
                           y3="4.22934"
                           yFract="0.50110664"
                           z3="6.3434"
                           zFract="0.28548155"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14324"
                           xFract="0.49090521"
                           y3="6.31419"
                           yFract="0.74812678"
                           z3="8.51327"
                           zFract="0.38313546"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08677"
                           xFract="0.24724763"
                           y3="4.18644"
                           yFract="0.4960237"
                           z3="8.42995"
                           zFract="0.37938569"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12106"
                           xFract="0.25131043"
                           y3="4.23932"
                           yFract="0.5022891"
                           z3="4.24525"
                           zFract="0.19105536"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3217"
                           xFract="0.74901659"
                           y3="4.13935"
                           yFract="0.49044431"
                           z3="8.4538"
                           zFract="0.38045905"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19742"
                           xFract="0.49732464"
                           y3="2.10093"
                           yFract="0.24892536"
                           z3="8.43556"
                           zFract="0.37963816"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21243"
                           xFract="0.49910308"
                           y3="6.33764"
                           yFract="0.75090521"
                           z3="4.28761"
                           zFract="0.19296175"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02323"
                           xFract="-0.00275237"
                           y3="0.00844"
                           yFract="0.0010"
                           z3="6.3435"
                           zFract="0.28548605"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35899"
                           xFract="0.75343483"
                           y3="0.01734"
                           yFract="0.0020545"
                           z3="4.29046"
                           zFract="0.19309001"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10834"
                           xFract="0.24980332"
                           y3="-0.03589"
                           yFract="-0.00425237"
                           z3="4.24732"
                           zFract="0.19114851"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02361"
                           xFract="0.00279739"
                           y3="6.34735"
                           yFract="0.75205569"
                           z3="4.20511"
                           zFract="0.18924887"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31852"
                           xFract="0.74863981"
                           y3="2.07393"
                           yFract="0.2457263"
                           z3="6.39574"
                           zFract="0.28783708"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10927"
                           xFract="0.01294668"
                           y3="6.33075"
                           yFract="0.75008886"
                           z3="8.43017"
                           zFract="0.37939559"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3095"
                           xFract="0.74757109"
                           y3="4.22372"
                           yFract="0.50044076"
                           z3="4.24718"
                           zFract="0.19114221"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23602"
                           xFract="0.5018981"
                           y3="2.07061"
                           yFract="0.24533294"
                           z3="4.24557"
                           zFract="0.19106976"/>
                     <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="0.0469"
                           xFract="0.00555687"
                           y3="2.10004"
                           yFract="0.24881991"
                           z3="6.35232"
                           zFract="0.28588299"/>
                     <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="2.2724"
                           xFract="0.26924171"
                           y3="-0.0378"
                           yFract="-0.00447867"
                           z3="6.43205"
                           zFract="0.2894712"/>
                     <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="0.02481"
                           xFract="0.00293957"
                           y3="0.17558"
                           yFract="0.02080332"
                           z3="4.2371"
                           zFract="0.19068857"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03945"
                           xFract="-0.00467417"
                           y3="-0.06812"
                           yFract="-0.00807109"
                           z3="8.57763"
                           zFract="0.38603195"/>
                     <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="2.00012"
                           xFract="0.23698104"
                           y3="2.16726"
                           yFract="0.25678436"
                           z3="4.21911"
                           zFract="0.18987894"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08052"
                           xFract="0.24650711"
                           y3="2.09876"
                           yFract="0.24866825"
                           z3="8.48323"
                           zFract="0.38178353"/>
                     <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="4.1609"
                           xFract="0.49299763"
                           y3="2.08201"
                           yFract="0.24668365"
                           z3="6.37902"
                           zFract="0.28708461"/>
                     <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="6.14357"
                           xFract="0.72791114"
                           y3="-0.17588"
                           yFract="-0.02083886"
                           z3="6.50536"
                           zFract="0.29277048"/>
                     <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="4.22517"
                           xFract="0.50061256"
                           y3="0.01102"
                           yFract="0.00130569"
                           z3="4.36106"
                           zFract="0.19626733"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21352"
                           xFract="0.49923223"
                           y3="0.00288"
                           yFract="0.00034123"
                           z3="8.59766"
                           zFract="0.38693339"/>
                     <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="6.48662"
                           xFract="0.76855687"
                           y3="2.11813"
                           yFract="0.25096327"
                           z3="4.28909"
                           zFract="0.19302835"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33354"
                           xFract="0.75041943"
                           y3="2.10425"
                           yFract="0.24931872"
                           z3="8.56712"
                           zFract="0.38555896"/>
                     <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="-0.0235"
                           xFract="-0.00278436"
                           y3="6.35238"
                           yFract="0.75265166"
                           z3="6.32144"
                           zFract="0.28449325"/>
                     <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="2.09356"
                           xFract="0.24805213"
                           y3="4.2092"
                           yFract="0.49872038"
                           z3="6.37293"
                           zFract="0.28681053"/>
                     <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="0.02589"
                           xFract="0.00306754"
                           y3="4.08393"
                           yFract="0.48387796"
                           z3="4.28455"
                           zFract="0.19282403"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03684"
                           xFract="-0.00436493"
                           y3="4.27106"
                           yFract="0.50604976"
                           z3="8.46952"
                           zFract="0.38116652"/>
                     <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="2.05061"
                           xFract="0.24296327"
                           y3="6.27711"
                           yFract="0.74373341"
                           z3="4.3345"
                           zFract="0.19507201"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13635"
                           xFract="0.25312204"
                           y3="6.31533"
                           yFract="0.74826185"
                           z3="8.59275"
                           zFract="0.38671242"/>
                     <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="4.25062"
                           xFract="0.50362796"
                           y3="6.31377"
                           yFract="0.74807701"
                           z3="6.49337"
                           zFract="0.29223087"/>
                     <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="6.31538"
                           xFract="0.74826777"
                           y3="4.38313"
                           yFract="0.5193282"
                           z3="6.43124"
                           zFract="0.28943474"/>
                     <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="4.19892"
                           xFract="0.49750237"
                           y3="4.16733"
                           yFract="0.49375948"
                           z3="4.31795"
                           zFract="0.19432718"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21587"
                           xFract="0.49951066"
                           y3="4.19375"
                           yFract="0.49688981"
                           z3="8.56783"
                           zFract="0.38559091"/>
                     <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="6.41975"
                           xFract="0.76063389"
                           y3="6.33435"
                           yFract="0.7505154"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19506"
                           xFract="0.73401185"
                           y3="6.31195"
                           yFract="0.74786137"
                           z3="9.12905"
                           zFract="0.41084833"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33387"
                           xFract="0.75045853"
                           y3="6.30129"
                           yFract="0.74659834"
                           z3="10.09977"
                           zFract="0.4545351"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2165"
                           xFract="0.49958531"
                           y3="4.20715"
                           yFract="0.49847749"
                           z3="6.40621"
                           zFract="0.28830828"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="6.34741"
                           yFract="0.7520628"
                           z3="6.27314"
                           zFract="0.28231953"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11855"
                           xFract="0.25101303"
                           y3="6.31954"
                           yFract="0.74876066"
                           z3="6.38344"
                           zFract="0.28728353"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02154"
                           xFract="0.00255213"
                           y3="2.12974"
                           yFract="0.25233886"
                           z3="4.23817"
                           zFract="0.19073672"/>
                     <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="-0.01628"
                           xFract="-0.00192891"
                           y3="2.09664"
                           yFract="0.24841706"
                           z3="8.43852"
                           zFract="0.37977138"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21019"
                           xFract="0.49883768"
                           y3="-0.03395"
                           yFract="-0.00402251"
                           z3="6.45122"
                           zFract="0.29033393"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0707"
                           xFract="0.2453436"
                           y3="0.01021"
                           yFract="0.00120972"
                           z3="8.47553"
                           zFract="0.38143699"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33819"
                           xFract="0.75097038"
                           y3="0.06774"
                           yFract="0.00802607"
                           z3="8.50358"
                           zFract="0.38269937"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09758"
                           xFract="0.24852844"
                           y3="2.06686"
                           yFract="0.24488863"
                           z3="6.33233"
                           zFract="0.28498335"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03525"
                           xFract="-0.00417654"
                           y3="4.22942"
                           yFract="0.50111611"
                           z3="6.34341"
                           zFract="0.285482"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14321"
                           xFract="0.49090166"
                           y3="6.31406"
                           yFract="0.74811137"
                           z3="8.51348"
                           zFract="0.38314491"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0867"
                           xFract="0.24723934"
                           y3="4.18629"
                           yFract="0.49600592"
                           z3="8.43042"
                           zFract="0.37940684"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12097"
                           xFract="0.25129976"
                           y3="4.23928"
                           yFract="0.50228436"
                           z3="4.24566"
                           zFract="0.19107381"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32154"
                           xFract="0.74899763"
                           y3="4.13945"
                           yFract="0.49045616"
                           z3="8.45416"
                           zFract="0.38047525"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19725"
                           xFract="0.4973045"
                           y3="2.10091"
                           yFract="0.24892299"
                           z3="8.43627"
                           zFract="0.37967012"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21236"
                           xFract="0.49909479"
                           y3="6.33775"
                           yFract="0.75091825"
                           z3="4.28781"
                           zFract="0.19297075"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02326"
                           xFract="-0.00275592"
                           y3="0.00832"
                           yFract="0.00098578"
                           z3="6.34361"
                           zFract="0.285491"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35909"
                           xFract="0.75344668"
                           y3="0.01739"
                           yFract="0.00206043"
                           z3="4.29086"
                           zFract="0.19310801"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10822"
                           xFract="0.2497891"
                           y3="-0.03614"
                           yFract="-0.00428199"
                           z3="4.24765"
                           zFract="0.19116337"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02366"
                           xFract="0.00280332"
                           y3="6.34717"
                           yFract="0.75203436"
                           z3="4.20523"
                           zFract="0.18925428"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31823"
                           xFract="0.74860545"
                           y3="2.07392"
                           yFract="0.24572512"
                           z3="6.39611"
                           zFract="0.28785374"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10924"
                           xFract="0.01294313"
                           y3="6.33064"
                           yFract="0.75007583"
                           z3="8.43031"
                           zFract="0.37940189"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30947"
                           xFract="0.74756754"
                           y3="4.22382"
                           yFract="0.50045261"
                           z3="4.24745"
                           zFract="0.19115437"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23615"
                           xFract="0.50191351"
                           y3="2.07048"
                           yFract="0.24531754"
                           z3="4.24573"
                           zFract="0.19107696"/>
                     <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="0.04672"
                           xFract="0.00553555"
                           y3="2.09974"
                           yFract="0.24878436"
                           z3="6.35284"
                           zFract="0.28590639"/>
                     <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="2.27278"
                           xFract="0.26928673"
                           y3="-0.03782"
                           yFract="-0.00448104"
                           z3="6.43263"
                           zFract="0.2894973"/>
                     <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="0.02413"
                           xFract="0.002859"
                           y3="0.17581"
                           yFract="0.02083057"
                           z3="4.23735"
                           zFract="0.19069982"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03969"
                           xFract="-0.00470261"
                           y3="-0.06847"
                           yFract="-0.00811256"
                           z3="8.57802"
                           zFract="0.3860495"/>
                     <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="2.0000"
                           xFract="0.23696682"
                           y3="2.16693"
                           yFract="0.25674526"
                           z3="4.21929"
                           zFract="0.18988704"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.08027"
                           xFract="0.24647749"
                           y3="2.09869"
                           yFract="0.24865995"
                           z3="8.48364"
                           zFract="0.38180198"/>
                     <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="4.16095"
                           xFract="0.49300355"
                           y3="2.08205"
                           yFract="0.24668839"
                           z3="6.37974"
                           zFract="0.28711701"/>
                     <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="6.14345"
                           xFract="0.72789692"
                           y3="-0.17592"
                           yFract="-0.0208436"
                           z3="6.50617"
                           zFract="0.29280693"/>
                     <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="4.22605"
                           xFract="0.50071682"
                           y3="0.01111"
                           yFract="0.00131635"
                           z3="4.36146"
                           zFract="0.19628533"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21334"
                           xFract="0.4992109"
                           y3="0.00299"
                           yFract="0.00035427"
                           z3="8.59835"
                           zFract="0.38696445"/>
                     <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="6.48708"
                           xFract="0.76861137"
                           y3="2.11847"
                           yFract="0.25100355"
                           z3="4.28939"
                           zFract="0.19304185"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33348"
                           xFract="0.75041232"
                           y3="2.10414"
                           yFract="0.24930569"
                           z3="8.5678"
                           zFract="0.38558956"/>
                     <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="-0.02347"
                           xFract="-0.00278081"
                           y3="6.35272"
                           yFract="0.75269194"
                           z3="6.32146"
                           zFract="0.28449415"/>
                     <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="2.09339"
                           xFract="0.24803199"
                           y3="4.20895"
                           yFract="0.49869076"
                           z3="6.37339"
                           zFract="0.28683123"/>
                     <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="0.02601"
                           xFract="0.00308175"
                           y3="4.08361"
                           yFract="0.48384005"
                           z3="4.28492"
                           zFract="0.19284068"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03696"
                           xFract="-0.00437915"
                           y3="4.27139"
                           yFract="0.50608886"
                           z3="8.4698"
                           zFract="0.38117912"/>
                     <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="2.05066"
                           xFract="0.24296919"
                           y3="6.27728"
                           yFract="0.74375355"
                           z3="4.33494"
                           zFract="0.19509181"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13619"
                           xFract="0.25310308"
                           y3="6.31528"
                           yFract="0.74825592"
                           z3="8.59323"
                           zFract="0.38673402"/>
                     <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="4.25039"
                           xFract="0.50360071"
                           y3="6.31343"
                           yFract="0.74803673"
                           z3="6.49347"
                           zFract="0.29223537"/>
                     <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="6.31529"
                           xFract="0.74825711"
                           y3="4.38338"
                           yFract="0.51935782"
                           z3="6.43149"
                           zFract="0.28944599"/>
                     <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="4.19885"
                           xFract="0.49749408"
                           y3="4.16692"
                           yFract="0.4937109"
                           z3="4.31815"
                           zFract="0.19433618"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21574"
                           xFract="0.49949526"
                           y3="4.19348"
                           yFract="0.49685782"
                           z3="8.56805"
                           zFract="0.38560081"/>
                     <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="6.41986"
                           xFract="0.76064692"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="4.2377"
                           zFract="0.19071557"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19482"
                           xFract="0.73398341"
                           y3="6.31181"
                           yFract="0.74784479"
                           z3="9.13121"
                           zFract="0.41094554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33287"
                           xFract="0.75034005"
                           y3="6.30065"
                           yFract="0.74652251"
                           z3="10.10055"
                           zFract="0.45457021"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21679"
                           xFract="0.49961967"
                           y3="4.20685"
                           yFract="0.49844194"
                           z3="6.40756"
                           zFract="0.28836904"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31795"
                           xFract="0.74857227"
                           y3="6.34721"
                           yFract="0.7520391"
                           z3="6.27367"
                           zFract="0.28234338"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11828"
                           xFract="0.25098104"
                           y3="6.31916"
                           yFract="0.74871564"
                           z3="6.38434"
                           zFract="0.28732403"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02028"
                           xFract="0.00240284"
                           y3="2.13007"
                           yFract="0.25237796"
                           z3="4.23855"
                           zFract="0.19075383"/>
                     <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="-0.0165"
                           xFract="-0.00195498"
                           y3="2.09655"
                           yFract="0.2484064"
                           z3="8.4398"
                           zFract="0.37982898"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2094"
                           xFract="0.49874408"
                           y3="-0.03439"
                           yFract="-0.00407464"
                           z3="6.45282"
                           zFract="0.29040594"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07032"
                           xFract="0.24529858"
                           y3="0.01026"
                           yFract="0.00121564"
                           z3="8.47696"
                           zFract="0.38150135"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3378"
                           xFract="0.75092417"
                           y3="0.06774"
                           yFract="0.00802607"
                           z3="8.50595"
                           zFract="0.38280603"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09767"
                           xFract="0.2485391"
                           y3="2.06595"
                           yFract="0.24478081"
                           z3="6.33415"
                           zFract="0.28506526"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03562"
                           xFract="-0.00422038"
                           y3="4.22967"
                           yFract="0.50114573"
                           z3="6.34344"
                           zFract="0.28548335"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14311"
                           xFract="0.49088981"
                           y3="6.31368"
                           yFract="0.74806635"
                           z3="8.51414"
                           zFract="0.38317462"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.0865"
                           xFract="0.24721564"
                           y3="4.18582"
                           yFract="0.49595024"
                           z3="8.43184"
                           zFract="0.37947075"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12068"
                           xFract="0.2512654"
                           y3="4.23914"
                           yFract="0.50226777"
                           z3="4.24688"
                           zFract="0.19112871"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32107"
                           xFract="0.74894194"
                           y3="4.13974"
                           yFract="0.49049052"
                           z3="8.45524"
                           zFract="0.38052385"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19675"
                           xFract="0.49724526"
                           y3="2.10088"
                           yFract="0.24891943"
                           z3="8.4384"
                           zFract="0.37976598"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21213"
                           xFract="0.49906754"
                           y3="6.33808"
                           yFract="0.75095735"
                           z3="4.28842"
                           zFract="0.1929982"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02335"
                           xFract="-0.00276659"
                           y3="0.00795"
                           yFract="0.00094194"
                           z3="6.34393"
                           zFract="0.2855054"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35938"
                           xFract="0.75348104"
                           y3="0.01753"
                           yFract="0.00207701"
                           z3="4.29207"
                           zFract="0.19316247"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10787"
                           xFract="0.24974763"
                           y3="-0.03687"
                           yFract="-0.00436848"
                           z3="4.24862"
                           zFract="0.19120702"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02383"
                           xFract="0.00282346"
                           y3="6.34662"
                           yFract="0.75196919"
                           z3="4.20557"
                           zFract="0.18926958"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31737"
                           xFract="0.74850355"
                           y3="2.0739"
                           yFract="0.24572275"
                           z3="6.39722"
                           zFract="0.28790369"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10913"
                           xFract="0.01293009"
                           y3="6.33032"
                           yFract="0.75003791"
                           z3="8.43075"
                           zFract="0.37942169"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30939"
                           xFract="0.74755806"
                           y3="4.22409"
                           yFract="0.5004846"
                           z3="4.24826"
                           zFract="0.19119082"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23652"
                           xFract="0.50195735"
                           y3="2.07007"
                           yFract="0.24526896"
                           z3="4.24621"
                           zFract="0.19109856"/>
                     <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="0.04619"
                           xFract="0.00547275"
                           y3="2.09884"
                           yFract="0.24867773"
                           z3="6.3544"
                           zFract="0.2859766"/>
                     <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="2.2739"
                           xFract="0.26941943"
                           y3="-0.03789"
                           yFract="-0.00448934"
                           z3="6.43435"
                           zFract="0.28957471"/>
                     <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="0.02211"
                           xFract="0.00261967"
                           y3="0.17648"
                           yFract="0.02090995"
                           z3="4.23809"
                           zFract="0.19073312"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04041"
                           xFract="-0.00478791"
                           y3="-0.0695"
                           yFract="-0.0082346"
                           z3="8.57917"
                           zFract="0.38610126"/>
                     <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="1.99963"
                           xFract="0.23692299"
                           y3="2.16592"
                           yFract="0.25662559"
                           z3="4.21982"
                           zFract="0.18991089"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07951"
                           xFract="0.24638744"
                           y3="2.09848"
                           yFract="0.24863507"
                           z3="8.48489"
                           zFract="0.38185824"/>
                     <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="4.16111"
                           xFract="0.49302251"
                           y3="2.0822"
                           yFract="0.24670616"
                           z3="6.3819"
                           zFract="0.28721422"/>
                     <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="6.1431"
                           xFract="0.72785545"
                           y3="-0.17602"
                           yFract="-0.02085545"
                           z3="6.50858"
                           zFract="0.29291539"/>
                     <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="4.22871"
                           xFract="0.50103199"
                           y3="0.01138"
                           yFract="0.00134834"
                           z3="4.36267"
                           zFract="0.19633978"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="0.00332"
                           yFract="0.00039336"
                           z3="8.60041"
                           zFract="0.38705716"/>
                     <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="6.48848"
                           xFract="0.76877725"
                           y3="2.11948"
                           yFract="0.25112322"
                           z3="4.2903"
                           zFract="0.19308281"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33328"
                           xFract="0.75038863"
                           y3="2.10381"
                           yFract="0.24926659"
                           z3="8.56983"
                           zFract="0.38568092"/>
                     <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="-0.02341"
                           xFract="-0.0027737"
                           y3="6.35375"
                           yFract="0.75281398"
                           z3="6.32151"
                           zFract="0.2844964"/>
                     <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="2.09287"
                           xFract="0.24797038"
                           y3="4.2082"
                           yFract="0.4986019"
                           z3="6.37479"
                           zFract="0.28689424"/>
                     <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="0.02636"
                           xFract="0.00312322"
                           y3="4.08264"
                           yFract="0.48372512"
                           z3="4.28603"
                           zFract="0.19289064"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03733"
                           xFract="-0.00442299"
                           y3="4.27238"
                           yFract="0.50620616"
                           z3="8.47061"
                           zFract="0.38121557"/>
                     <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="2.05081"
                           xFract="0.24298697"
                           y3="6.2778"
                           yFract="0.74381517"
                           z3="4.33627"
                           zFract="0.19515167"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13571"
                           xFract="0.25304621"
                           y3="6.31513"
                           yFract="0.74823815"
                           z3="8.59466"
                           zFract="0.38679838"/>
                     <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="4.24971"
                           xFract="0.50352014"
                           y3="6.31242"
                           yFract="0.74791706"
                           z3="6.49378"
                           zFract="0.29224932"/>
                     <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="6.31503"
                           xFract="0.7482263"
                           y3="4.38415"
                           yFract="0.51944905"
                           z3="6.43225"
                           zFract="0.2894802"/>
                     <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="4.19866"
                           xFract="0.49747156"
                           y3="4.16569"
                           yFract="0.49356517"
                           z3="4.31876"
                           zFract="0.19436364"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21534"
                           xFract="0.49944787"
                           y3="4.19267"
                           yFract="0.49676185"
                           z3="8.56874"
                           zFract="0.38563186"/>
                     <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="6.42017"
                           xFract="0.76068365"
                           y3="6.33356"
                           yFract="0.7504218"
                           z3="4.2382"
                           zFract="0.19073807"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19409"
                           xFract="0.73389692"
                           y3="6.3114"
                           yFract="0.74779621"
                           z3="9.13767"
                           zFract="0.41123627"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.33255"
                           xFract="0.75030213"
                           y3="6.30032"
                           yFract="0.74648341"
                           z3="10.10226"
                           zFract="0.45464716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21675"
                           xFract="0.49961493"
                           y3="4.20656"
                           yFract="0.49840758"
                           z3="6.40818"
                           zFract="0.28839694"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31784"
                           xFract="0.74855924"
                           y3="6.34755"
                           yFract="0.75207938"
                           z3="6.27391"
                           zFract="0.28235419"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11813"
                           xFract="0.25096327"
                           y3="6.31887"
                           yFract="0.74868128"
                           z3="6.38482"
                           zFract="0.28734563"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02037"
                           xFract="0.00241351"
                           y3="2.12984"
                           yFract="0.25235071"
                           z3="4.23882"
                           zFract="0.19076598"/>
                     <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="-0.01672"
                           xFract="-0.00198104"
                           y3="2.09649"
                           yFract="0.24839929"
                           z3="8.44047"
                           zFract="0.37985914"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.20994"
                           xFract="0.49880806"
                           y3="-0.03448"
                           yFract="-0.00408531"
                           z3="6.45353"
                           zFract="0.29043789"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.07011"
                           xFract="0.2452737"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="8.47779"
                           zFract="0.3815387"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33758"
                           xFract="0.7508981"
                           y3="0.06783"
                           yFract="0.00803673"
                           z3="8.50709"
                           zFract="0.38285734"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09765"
                           xFract="0.24853673"
                           y3="2.06565"
                           yFract="0.24474526"
                           z3="6.33488"
                           zFract="0.28509811"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0357"
                           xFract="-0.00422986"
                           y3="4.22976"
                           yFract="0.5011564"
                           z3="6.34361"
                           zFract="0.285491"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14307"
                           xFract="0.49088507"
                           y3="6.31353"
                           yFract="0.74804858"
                           z3="8.51447"
                           zFract="0.38318947"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08635"
                           xFract="0.24719787"
                           y3="4.1856"
                           yFract="0.49592417"
                           z3="8.43246"
                           zFract="0.37949865"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12067"
                           xFract="0.25126422"
                           y3="4.23899"
                           yFract="0.50225"
                           z3="4.24754"
                           zFract="0.19115842"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32089"
                           xFract="0.74892062"
                           y3="4.13972"
                           yFract="0.49048815"
                           z3="8.45574"
                           zFract="0.38054635"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19657"
                           xFract="0.49722393"
                           y3="2.10081"
                           yFract="0.24891114"
                           z3="8.43946"
                           zFract="0.37981368"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21201"
                           xFract="0.49905332"
                           y3="6.33813"
                           yFract="0.75096327"
                           z3="4.28868"
                           zFract="0.1930099"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02348"
                           xFract="-0.00278199"
                           y3="0.00792"
                           yFract="0.00093839"
                           z3="6.34412"
                           zFract="0.28551395"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35946"
                           xFract="0.75349052"
                           y3="0.01758"
                           yFract="0.00208294"
                           z3="4.29274"
                           zFract="0.19319262"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1077"
                           xFract="0.24972749"
                           y3="-0.03714"
                           yFract="-0.00440047"
                           z3="4.24911"
                           zFract="0.19122907"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02385"
                           xFract="0.00282583"
                           y3="6.34634"
                           yFract="0.75193602"
                           z3="4.2057"
                           zFract="0.18927543"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31694"
                           xFract="0.74845261"
                           y3="2.0738"
                           yFract="0.2457109"
                           z3="6.3978"
                           zFract="0.28792979"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10911"
                           xFract="0.01292773"
                           y3="6.3302"
                           yFract="0.7500237"
                           z3="8.43094"
                           zFract="0.37943024"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30926"
                           xFract="0.74754265"
                           y3="4.22436"
                           yFract="0.50051659"
                           z3="4.24853"
                           zFract="0.19120297"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23652"
                           xFract="0.50195735"
                           y3="2.06996"
                           yFract="0.24525592"
                           z3="4.24658"
                           zFract="0.19111521"/>
                     <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="0.04585"
                           xFract="0.00543246"
                           y3="2.09848"
                           yFract="0.24863507"
                           z3="6.35528"
                           zFract="0.2860162"/>
                     <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="2.27393"
                           xFract="0.26942299"
                           y3="-0.03796"
                           yFract="-0.00449763"
                           z3="6.43534"
                           zFract="0.28961926"/>
                     <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="0.02098"
                           xFract="0.00248578"
                           y3="0.17687"
                           yFract="0.02095616"
                           z3="4.23841"
                           zFract="0.19074752"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04061"
                           xFract="-0.00481161"
                           y3="-0.06996"
                           yFract="-0.0082891"
                           z3="8.57985"
                           zFract="0.38613186"/>
                     <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="1.99919"
                           xFract="0.23687085"
                           y3="2.16532"
                           yFract="0.2565545"
                           z3="4.22003"
                           zFract="0.18992034"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07913"
                           xFract="0.24634242"
                           y3="2.0983"
                           yFract="0.24861374"
                           z3="8.48556"
                           zFract="0.38188839"/>
                     <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="4.16118"
                           xFract="0.49303081"
                           y3="2.08224"
                           yFract="0.2467109"
                           z3="6.38304"
                           zFract="0.28726553"/>
                     <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="6.14269"
                           xFract="0.72780687"
                           y3="-0.17626"
                           yFract="-0.02088389"
                           z3="6.50979"
                           zFract="0.29296985"/>
                     <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="4.23016"
                           xFract="0.50120379"
                           y3="0.01147"
                           yFract="0.001359"
                           z3="4.36338"
                           zFract="0.19637174"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21239"
                           xFract="0.49909834"
                           y3="0.00341"
                           yFract="0.00040403"
                           z3="8.60158"
                           zFract="0.38710981"/>
                     <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="6.48889"
                           xFract="0.76882583"
                           y3="2.12008"
                           yFract="0.25119431"
                           z3="4.29082"
                           zFract="0.19310621"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33321"
                           xFract="0.75038033"
                           y3="2.10375"
                           yFract="0.24925948"
                           z3="8.57085"
                           zFract="0.38572682"/>
                     <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="-0.02334"
                           xFract="-0.0027654"
                           y3="6.35412"
                           yFract="0.75285782"
                           z3="6.32155"
                           zFract="0.2844982"/>
                     <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="2.0927"
                           xFract="0.24795024"
                           y3="4.20787"
                           yFract="0.4985628"
                           z3="6.37558"
                           zFract="0.28692979"/>
                     <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="0.02647"
                           xFract="0.00313626"
                           y3="4.08228"
                           yFract="0.48368246"
                           z3="4.28643"
                           zFract="0.19290864"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03755"
                           xFract="-0.00444905"
                           y3="4.27282"
                           yFract="0.50625829"
                           z3="8.47101"
                           zFract="0.38123357"/>
                     <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="2.05098"
                           xFract="0.24300711"
                           y3="6.27814"
                           yFract="0.74385545"
                           z3="4.33689"
                           zFract="0.19517957"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13551"
                           xFract="0.25302251"
                           y3="6.31507"
                           yFract="0.74823104"
                           z3="8.59532"
                           zFract="0.38682808"/>
                     <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="4.24932"
                           xFract="0.50347393"
                           y3="6.31199"
                           yFract="0.74786611"
                           z3="6.49403"
                           zFract="0.29226058"/>
                     <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="6.3149"
                           xFract="0.7482109"
                           y3="4.38425"
                           yFract="0.5194609"
                           z3="6.43269"
                           zFract="0.2895"/>
                     <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="4.19856"
                           xFract="0.49745972"
                           y3="4.1651"
                           yFract="0.49349526"
                           z3="4.3191"
                           zFract="0.19437894"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21514"
                           xFract="0.49942417"
                           y3="4.19232"
                           yFract="0.49672038"
                           z3="8.56918"
                           zFract="0.38565167"/>
                     <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="6.4203"
                           xFract="0.76069905"
                           y3="6.3332"
                           yFract="0.75037915"
                           z3="4.23842"
                           zFract="0.19074797"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19338"
                           xFract="0.7338128"
                           y3="6.31119"
                           yFract="0.74777133"
                           z3="9.13972"
                           zFract="0.41132853"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.3316"
                           xFract="0.75018957"
                           y3="6.29933"
                           yFract="0.74636611"
                           z3="10.10737"
                           zFract="0.45487714"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2166"
                           xFract="0.49959716"
                           y3="4.2057"
                           yFract="0.49830569"
                           z3="6.41005"
                           zFract="0.2884811"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31749"
                           xFract="0.74851777"
                           y3="6.34859"
                           yFract="0.75220261"
                           z3="6.27463"
                           zFract="0.28238659"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11765"
                           xFract="0.2509064"
                           y3="6.31802"
                           yFract="0.74858057"
                           z3="6.38627"
                           zFract="0.28741089"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02066"
                           xFract="0.00244787"
                           y3="2.12914"
                           yFract="0.25226777"
                           z3="4.2396"
                           zFract="0.19080108"/>
                     <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="-0.01739"
                           xFract="-0.00206043"
                           y3="2.09633"
                           yFract="0.24838033"
                           z3="8.44249"
                           zFract="0.37995005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21158"
                           xFract="0.49900237"
                           y3="-0.03472"
                           yFract="-0.00411374"
                           z3="6.45566"
                           zFract="0.29053375"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.06945"
                           xFract="0.2451955"
                           y3="0.00997"
                           yFract="0.00118128"
                           z3="8.48027"
                           zFract="0.38165032"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33691"
                           xFract="0.75081872"
                           y3="0.06808"
                           yFract="0.00806635"
                           z3="8.5105"
                           zFract="0.3830108"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0976"
                           xFract="0.24853081"
                           y3="2.06475"
                           yFract="0.24463863"
                           z3="6.33709"
                           zFract="0.28519757"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03595"
                           xFract="-0.00425948"
                           y3="4.23002"
                           yFract="0.5011872"
                           z3="6.34414"
                           zFract="0.28551485"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14297"
                           xFract="0.49087322"
                           y3="6.31305"
                           yFract="0.74799171"
                           z3="8.51547"
                           zFract="0.38323447"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08591"
                           xFract="0.24714573"
                           y3="4.18495"
                           yFract="0.49584716"
                           z3="8.43432"
                           zFract="0.37958236"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12063"
                           xFract="0.25125948"
                           y3="4.23855"
                           yFract="0.50219787"
                           z3="4.24952"
                           zFract="0.19124752"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.32036"
                           xFract="0.74885782"
                           y3="4.13963"
                           yFract="0.49047749"
                           z3="8.45722"
                           zFract="0.38061296"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19602"
                           xFract="0.49715877"
                           y3="2.1006"
                           yFract="0.24888626"
                           z3="8.44264"
                           zFract="0.3799568"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21163"
                           xFract="0.49900829"
                           y3="6.3383"
                           yFract="0.75098341"
                           z3="4.28945"
                           zFract="0.19304455"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02387"
                           xFract="-0.0028282"
                           y3="0.00783"
                           yFract="0.00092773"
                           z3="6.34469"
                           zFract="0.2855396"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.35971"
                           xFract="0.75352014"
                           y3="0.01771"
                           yFract="0.00209834"
                           z3="4.29475"
                           zFract="0.19328308"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10719"
                           xFract="0.24966706"
                           y3="-0.03795"
                           yFract="-0.00449645"
                           z3="4.25055"
                           zFract="0.19129388"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02392"
                           xFract="0.00283412"
                           y3="6.34551"
                           yFract="0.75183768"
                           z3="4.20609"
                           zFract="0.18929298"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31564"
                           xFract="0.74829858"
                           y3="2.07351"
                           yFract="0.24567654"
                           z3="6.39954"
                           zFract="0.2880081"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10902"
                           xFract="0.01291706"
                           y3="6.32984"
                           yFract="0.74998104"
                           z3="8.43151"
                           zFract="0.3794559"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30885"
                           xFract="0.74749408"
                           y3="4.22516"
                           yFract="0.50061137"
                           z3="4.24934"
                           zFract="0.19123942"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2365"
                           xFract="0.50195498"
                           y3="2.06964"
                           yFract="0.24521801"
                           z3="4.24769"
                           zFract="0.19116517"/>
                     <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="0.04482"
                           xFract="0.00531043"
                           y3="2.09741"
                           yFract="0.24850829"
                           z3="6.35791"
                           zFract="0.28613456"/>
                     <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="2.27402"
                           xFract="0.26943365"
                           y3="-0.03816"
                           yFract="-0.00452133"
                           z3="6.43831"
                           zFract="0.28975293"/>
                     <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="0.01757"
                           xFract="0.00208175"
                           y3="0.17801"
                           yFract="0.02109123"
                           z3="4.23937"
                           zFract="0.19079073"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04121"
                           xFract="-0.0048827"
                           y3="-0.07131"
                           yFract="-0.00844905"
                           z3="8.58191"
                           zFract="0.38622457"/>
                     <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="1.99787"
                           xFract="0.23671445"
                           y3="2.16352"
                           yFract="0.25634123"
                           z3="4.22063"
                           zFract="0.18994734"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07799"
                           xFract="0.24620735"
                           y3="2.09777"
                           yFract="0.24855095"
                           z3="8.48758"
                           zFract="0.3819793"/>
                     <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="4.16139"
                           xFract="0.49305569"
                           y3="2.08238"
                           yFract="0.24672749"
                           z3="6.38648"
                           zFract="0.28742034"/>
                     <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="6.14146"
                           xFract="0.72766114"
                           y3="-0.17696"
                           yFract="-0.02096682"
                           z3="6.51342"
                           zFract="0.29313321"/>
                     <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="4.23452"
                           xFract="0.50172038"
                           y3="0.01176"
                           yFract="0.00139336"
                           z3="4.3655"
                           zFract="0.19646715"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2112"
                           xFract="0.49895735"
                           y3="0.00365"
                           yFract="0.00043246"
                           z3="8.60509"
                           zFract="0.38726778"/>
                     <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="6.49014"
                           xFract="0.76897393"
                           y3="2.12187"
                           yFract="0.2514064"
                           z3="4.29239"
                           zFract="0.19317687"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33302"
                           xFract="0.75035782"
                           y3="2.10357"
                           yFract="0.24923815"
                           z3="8.57393"
                           zFract="0.38586544"/>
                     <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="-0.02316"
                           xFract="-0.00274408"
                           y3="6.35525"
                           yFract="0.75299171"
                           z3="6.32167"
                           zFract="0.2845036"/>
                     <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="2.0922"
                           xFract="0.247891"
                           y3="4.2069"
                           yFract="0.49844787"
                           z3="6.37793"
                           zFract="0.28703555"/>
                     <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="0.02681"
                           xFract="0.00317654"
                           y3="4.08119"
                           yFract="0.48355332"
                           z3="4.28765"
                           zFract="0.19296355"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0382"
                           xFract="-0.00452607"
                           y3="4.27413"
                           yFract="0.50641351"
                           z3="8.47221"
                           zFract="0.38128758"/>
                     <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="2.05149"
                           xFract="0.24306754"
                           y3="6.27917"
                           yFract="0.74397749"
                           z3="4.33873"
                           zFract="0.19526238"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13491"
                           xFract="0.25295142"
                           y3="6.3149"
                           yFract="0.7482109"
                           z3="8.59729"
                           zFract="0.38691674"/>
                     <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="4.24817"
                           xFract="0.50333768"
                           y3="6.3107"
                           yFract="0.74771327"
                           z3="6.49479"
                           zFract="0.29229478"/>
                     <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="6.3145"
                           xFract="0.74816351"
                           y3="4.38456"
                           yFract="0.51949763"
                           z3="6.43402"
                           zFract="0.28955986"/>
                     <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="4.19826"
                           xFract="0.49742417"
                           y3="4.16333"
                           yFract="0.49328555"
                           z3="4.3201"
                           zFract="0.19442394"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21452"
                           xFract="0.49935071"
                           y3="4.19127"
                           yFract="0.49659597"
                           z3="8.57049"
                           zFract="0.38571062"/>
                     <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="6.42071"
                           xFract="0.76074763"
                           y3="6.33214"
                           yFract="0.75025355"
                           z3="4.23906"
                           zFract="0.19077678"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.19124"
                           xFract="0.73355924"
                           y3="6.31057"
                           yFract="0.74769787"
                           z3="9.14585"
                           zFract="0.41160441"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a57" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.32969"
                           xFract="0.74996327"
                           y3="6.29737"
                           yFract="0.74613389"
                           z3="10.11761"
                           zFract="0.45533798"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2163"
                           xFract="0.49956161"
                           y3="4.20398"
                           yFract="0.4981019"
                           z3="6.41378"
                           zFract="0.28864896"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3168"
                           xFract="0.74843602"
                           y3="6.35066"
                           yFract="0.75244787"
                           z3="6.27606"
                           zFract="0.28245095"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1167"
                           xFract="0.25079384"
                           y3="6.31631"
                           yFract="0.74837796"
                           z3="6.38915"
                           zFract="0.2875405"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02124"
                           xFract="0.00251659"
                           y3="2.12774"
                           yFract="0.2521019"
                           z3="4.24118"
                           zFract="0.19087219"/>
                     <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="-0.01873"
                           xFract="-0.00221919"
                           y3="2.0960"
                           yFract="0.24834123"
                           z3="8.44653"
                           zFract="0.38013186"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21486"
                           xFract="0.499391"
                           y3="-0.03521"
                           yFract="-0.0041718"
                           z3="6.45992"
                           zFract="0.29072547"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.06815"
                           xFract="0.24504147"
                           y3="0.00954"
                           yFract="0.00113033"
                           z3="8.48524"
                           zFract="0.38187399"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33558"
                           xFract="0.75066114"
                           y3="0.0686"
                           yFract="0.00812796"
                           z3="8.51733"
                           zFract="0.38331818"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.0975"
                           xFract="0.24851896"
                           y3="2.06296"
                           yFract="0.24442654"
                           z3="6.3415"
                           zFract="0.28539604"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03645"
                           xFract="-0.00431872"
                           y3="4.23054"
                           yFract="0.50124882"
                           z3="6.3452"
                           zFract="0.28556256"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14278"
                           xFract="0.49085071"
                           y3="6.31211"
                           yFract="0.74788033"
                           z3="8.51748"
                           zFract="0.38332493"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08504"
                           xFract="0.24704265"
                           y3="4.18365"
                           yFract="0.49569313"
                           z3="8.43804"
                           zFract="0.37974977"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12055"
                           xFract="0.25125"
                           y3="4.23766"
                           yFract="0.50209242"
                           z3="4.25348"
                           zFract="0.19142574"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.31928"
                           xFract="0.74872986"
                           y3="4.13946"
                           yFract="0.49045735"
                           z3="8.46018"
                           zFract="0.38074617"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19492"
                           xFract="0.49702844"
                           y3="2.10018"
                           yFract="0.24883649"
                           z3="8.4490"
                           zFract="0.38024302"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21088"
                           xFract="0.49891943"
                           y3="6.33864"
                           yFract="0.7510237"
                           z3="4.29101"
                           zFract="0.19311476"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02466"
                           xFract="-0.0029218"
                           y3="0.00765"
                           yFract="0.0009064"
                           z3="6.34582"
                           zFract="0.28559046"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.36021"
                           xFract="0.75357938"
                           y3="0.01797"
                           yFract="0.00212915"
                           z3="4.29878"
                           zFract="0.19346445"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10617"
                           xFract="0.24954621"
                           y3="-0.03956"
                           yFract="-0.0046872"
                           z3="4.25345"
                           zFract="0.19142439"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02406"
                           xFract="0.00285071"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="4.20686"
                           zFract="0.18932763"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31304"
                           xFract="0.74799052"
                           y3="2.07294"
                           yFract="0.245609"
                           z3="6.40302"
                           zFract="0.28816472"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10886"
                           xFract="0.0128981"
                           y3="6.32912"
                           yFract="0.74989573"
                           z3="8.43267"
                           zFract="0.3795081"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30804"
                           xFract="0.7473981"
                           y3="4.22675"
                           yFract="0.50079976"
                           z3="4.25096"
                           zFract="0.19131233"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23647"
                           xFract="0.50195142"
                           y3="2.06898"
                           yFract="0.24513981"
                           z3="4.2499"
                           zFract="0.19126463"/>
                     <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="0.04277"
                           xFract="0.00506754"
                           y3="2.09527"
                           yFract="0.24825474"
                           z3="6.36318"
                           zFract="0.28637174"/>
                     <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="2.2742"
                           xFract="0.26945498"
                           y3="-0.03858"
                           yFract="-0.00457109"
                           z3="6.44424"
                           zFract="0.2900198"/>
                     <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="0.01077"
                           xFract="0.00127607"
                           y3="0.1803"
                           yFract="0.02136256"
                           z3="4.24129"
                           zFract="0.19087714"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04241"
                           xFract="-0.00502488"
                           y3="-0.07403"
                           yFract="-0.00877133"
                           z3="8.58602"
                           zFract="0.38640954"/>
                     <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="1.99523"
                           xFract="0.23640166"
                           y3="2.15992"
                           yFract="0.25591469"
                           z3="4.22185"
                           zFract="0.19000225"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07571"
                           xFract="0.2459372"
                           y3="2.09671"
                           yFract="0.24842536"
                           z3="8.4916"
                           zFract="0.38216022"/>
                     <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="4.16182"
                           xFract="0.49310664"
                           y3="2.08265"
                           yFract="0.24675948"
                           z3="6.39335"
                           zFract="0.28772952"/>
                     <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="6.13898"
                           xFract="0.7273673"
                           y3="-0.17837"
                           yFract="-0.02113389"
                           z3="6.52067"
                           zFract="0.2934595"/>
                     <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="4.24324"
                           xFract="0.50275355"
                           y3="0.01234"
                           yFract="0.00146209"
                           z3="4.36974"
                           zFract="0.19665797"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20882"
                           xFract="0.49867536"
                           y3="0.00415"
                           yFract="0.00049171"
                           z3="8.6121"
                           zFract="0.38758326"/>
                     <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="6.49262"
                           xFract="0.76926777"
                           y3="2.12546"
                           yFract="0.25183175"
                           z3="4.29554"
                           zFract="0.19331863"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33265"
                           xFract="0.75031398"
                           y3="2.10322"
                           yFract="0.24919668"
                           z3="8.58009"
                           zFract="0.38614266"/>
                     <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="-0.02279"
                           xFract="-0.00270024"
                           y3="6.35749"
                           yFract="0.75325711"
                           z3="6.3219"
                           zFract="0.28451395"/>
                     <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="2.09119"
                           xFract="0.24777133"
                           y3="4.20496"
                           yFract="0.49821801"
                           z3="6.38265"
                           zFract="0.28724797"/>
                     <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="0.02748"
                           xFract="0.00325592"
                           y3="4.07902"
                           yFract="0.48329621"
                           z3="4.29008"
                           zFract="0.19307291"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03949"
                           xFract="-0.00467891"
                           y3="4.27675"
                           yFract="0.50672393"
                           z3="8.4746"
                           zFract="0.38139514"/>
                     <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="2.05251"
                           xFract="0.24318839"
                           y3="6.28122"
                           yFract="0.74422038"
                           z3="4.34243"
                           zFract="0.19542889"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1337"
                           xFract="0.25280806"
                           y3="6.31456"
                           yFract="0.74817062"
                           z3="8.60123"
                           zFract="0.38709406"/>
                     <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="4.24587"
                           xFract="0.50306517"
                           y3="6.30811"
                           yFract="0.7474064"
                           z3="6.4963"
                           zFract="0.29236274"/>
                     <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="6.31372"
                           xFract="0.74807109"
                           y3="4.38517"
                           yFract="0.51956991"
                           z3="6.43667"
                           zFract="0.28967912"/>
                     <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="4.19766"
                           xFract="0.49735308"
                           y3="4.15978"
                           yFract="0.49286493"
                           z3="4.3221"
                           zFract="0.19451395"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21328"
                           xFract="0.49920379"
                           y3="4.18916"
                           yFract="0.49634597"
                           z3="8.57312"
                           zFract="0.38582898"/>
                     <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="6.42153"
                           xFract="0.76084479"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.24036"
                           zFract="0.19083528"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.18696"
                           xFract="0.73305213"
                           y3="6.30932"
                           yFract="0.74754976"
                           z3="9.15811"
                           zFract="0.41215617"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.32952"
                           xFract="0.74994313"
                           y3="6.29659"
                           yFract="0.74604147"
                           z3="10.12574"
                           zFract="0.45570387"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21599"
                           xFract="0.49952488"
                           y3="4.20312"
                           yFract="0.4980"
                           z3="6.41491"
                           zFract="0.28869982"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31648"
                           xFract="0.7483981"
                           y3="6.3516"
                           yFract="0.75255924"
                           z3="6.27662"
                           zFract="0.28247615"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11645"
                           xFract="0.25076422"
                           y3="6.31598"
                           yFract="0.74833886"
                           z3="6.39062"
                           zFract="0.28760666"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02199"
                           xFract="0.00260545"
                           y3="2.12717"
                           yFract="0.25203436"
                           z3="4.24217"
                           zFract="0.19091674"/>
                     <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="-0.01944"
                           xFract="-0.00230332"
                           y3="2.09581"
                           yFract="0.24831872"
                           z3="8.44797"
                           zFract="0.38019667"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2158"
                           xFract="0.49950237"
                           y3="-0.03498"
                           yFract="-0.00414455"
                           z3="6.46156"
                           zFract="0.29079928"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.06769"
                           xFract="0.24498697"
                           y3="0.00898"
                           yFract="0.00106398"
                           z3="8.48724"
                           zFract="0.381964"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33515"
                           xFract="0.75061019"
                           y3="0.0686"
                           yFract="0.00812796"
                           z3="8.52007"
                           zFract="0.38344149"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09718"
                           xFract="0.24848104"
                           y3="2.06252"
                           yFract="0.24437441"
                           z3="6.34275"
                           zFract="0.2854523"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03669"
                           xFract="-0.00434716"
                           y3="4.23045"
                           yFract="0.50123815"
                           z3="6.34631"
                           zFract="0.28561251"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14256"
                           xFract="0.49082464"
                           y3="6.31192"
                           yFract="0.74785782"
                           z3="8.51878"
                           zFract="0.38338344"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08448"
                           xFract="0.2469763"
                           y3="4.18342"
                           yFract="0.49566588"
                           z3="8.43937"
                           zFract="0.37980963"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12085"
                           xFract="0.25128555"
                           y3="4.23726"
                           yFract="0.50204502"
                           z3="4.25468"
                           zFract="0.19147975"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.31906"
                           xFract="0.74870379"
                           y3="4.13927"
                           yFract="0.49043483"
                           z3="8.46142"
                           zFract="0.38080198"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19464"
                           xFract="0.49699526"
                           y3="2.09983"
                           yFract="0.24879502"
                           z3="8.45136"
                           zFract="0.38034923"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21066"
                           xFract="0.49889336"
                           y3="6.3385"
                           yFract="0.75100711"
                           z3="4.29147"
                           zFract="0.19313546"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02505"
                           xFract="-0.00296801"
                           y3="0.0079"
                           yFract="0.00093602"
                           z3="6.34659"
                           zFract="0.28562511"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.36029"
                           xFract="0.75358886"
                           y3="0.01822"
                           yFract="0.00215877"
                           z3="4.30004"
                           zFract="0.19352115"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10598"
                           xFract="0.2495237"
                           y3="-0.03998"
                           yFract="-0.00473697"
                           z3="4.25459"
                           zFract="0.1914757"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02405"
                           xFract="0.00284953"
                           y3="6.3434"
                           yFract="0.75158768"
                           z3="4.20703"
                           zFract="0.18933528"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31223"
                           xFract="0.74789455"
                           y3="2.07273"
                           yFract="0.24558412"
                           z3="6.40428"
                           zFract="0.28822142"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10864"
                           xFract="0.01287204"
                           y3="6.32909"
                           yFract="0.74989218"
                           z3="8.43339"
                           zFract="0.3795405"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30759"
                           xFract="0.74734479"
                           y3="4.22725"
                           yFract="0.500859"
                           z3="4.25131"
                           zFract="0.19132808"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23624"
                           xFract="0.50192417"
                           y3="2.06881"
                           yFract="0.24511967"
                           z3="4.25095"
                           zFract="0.19131188"/>
                     <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="0.04194"
                           xFract="0.00496919"
                           y3="2.09486"
                           yFract="0.24820616"
                           z3="6.3651"
                           zFract="0.28645815"/>
                     <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="2.27401"
                           xFract="0.26943246"
                           y3="-0.03877"
                           yFract="-0.0045936"
                           z3="6.44595"
                           zFract="0.29009676"/>
                     <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="0.00813"
                           xFract="0.00096327"
                           y3="0.18068"
                           yFract="0.02140758"
                           z3="4.24186"
                           zFract="0.19090279"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04264"
                           xFract="-0.00505213"
                           y3="-0.07458"
                           yFract="-0.00883649"
                           z3="8.58765"
                           zFract="0.3864829"/>
                     <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="1.99432"
                           xFract="0.23629384"
                           y3="2.1583"
                           yFract="0.25572275"
                           z3="4.22247"
                           zFract="0.19003015"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07475"
                           xFract="0.24582346"
                           y3="2.09637"
                           yFract="0.24838507"
                           z3="8.49333"
                           zFract="0.38223807"/>
                     <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="4.16189"
                           xFract="0.49311493"
                           y3="2.08249"
                           yFract="0.24674052"
                           z3="6.39563"
                           zFract="0.28783213"/>
                     <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="6.13842"
                           xFract="0.72730095"
                           y3="-0.17911"
                           yFract="-0.02122156"
                           z3="6.52372"
                           zFract="0.29359676"/>
                     <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="4.24651"
                           xFract="0.503141"
                           y3="0.01265"
                           yFract="0.00149882"
                           z3="4.3714"
                           zFract="0.19673267"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20802"
                           xFract="0.49858057"
                           y3="0.00399"
                           yFract="0.00047275"
                           z3="8.61465"
                           zFract="0.38769802"/>
                     <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="6.49267"
                           xFract="0.7692737"
                           y3="2.12666"
                           yFract="0.25197393"
                           z3="4.29671"
                           zFract="0.19337129"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33269"
                           xFract="0.75031872"
                           y3="2.10342"
                           yFract="0.24922038"
                           z3="8.58226"
                           zFract="0.38624032"/>
                     <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="-0.02262"
                           xFract="-0.00268009"
                           y3="6.35787"
                           yFract="0.75330213"
                           z3="6.3219"
                           zFract="0.28451395"/>
                     <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="2.09097"
                           xFract="0.24774526"
                           y3="4.20432"
                           yFract="0.49814218"
                           z3="6.38398"
                           zFract="0.28730783"/>
                     <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="0.02794"
                           xFract="0.00331043"
                           y3="4.07856"
                           yFract="0.48324171"
                           z3="4.29051"
                           zFract="0.19309226"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.04007"
                           xFract="-0.00474763"
                           y3="4.27712"
                           yFract="0.50676777"
                           z3="8.47531"
                           zFract="0.38142709"/>
                     <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="2.05299"
                           xFract="0.24324526"
                           y3="6.28187"
                           yFract="0.74429739"
                           z3="4.34353"
                           zFract="0.1954784"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13375"
                           xFract="0.25281398"
                           y3="6.31421"
                           yFract="0.74812915"
                           z3="8.60232"
                           zFract="0.38714311"/>
                     <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="4.24496"
                           xFract="0.50295735"
                           y3="6.30761"
                           yFract="0.74734716"
                           z3="6.49716"
                           zFract="0.29240144"/>
                     <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="6.31352"
                           xFract="0.74804739"
                           y3="4.3851"
                           yFract="0.51956161"
                           z3="6.43782"
                           zFract="0.28973087"/>
                     <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="4.1972"
                           xFract="0.49729858"
                           y3="4.1586"
                           yFract="0.49272512"
                           z3="4.32287"
                           zFract="0.1945486"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21284"
                           xFract="0.49915166"
                           y3="4.18871"
                           yFract="0.49629265"
                           z3="8.57424"
                           zFract="0.38587939"/>
                     <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="6.42165"
                           xFract="0.760859"
                           y3="6.32913"
                           yFract="0.74989692"
                           z3="4.24078"
                           zFract="0.19085419"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.18442"
                           xFract="0.73275118"
                           y3="6.30888"
                           yFract="0.74749763"
                           z3="9.15777"
                           zFract="0.41214086"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.32955"
                           xFract="0.74994668"
                           y3="6.29671"
                           yFract="0.74605569"
                           z3="10.12446"
                           zFract="0.45564626"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21604"
                           xFract="0.49953081"
                           y3="4.20326"
                           yFract="0.49801659"
                           z3="6.41473"
                           zFract="0.28869172"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31653"
                           xFract="0.74840403"
                           y3="6.35145"
                           yFract="0.75254147"
                           z3="6.27653"
                           zFract="0.2824721"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11649"
                           xFract="0.25076896"
                           y3="6.31603"
                           yFract="0.74834479"
                           z3="6.39039"
                           zFract="0.28759631"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02188"
                           xFract="0.00259242"
                           y3="2.12726"
                           yFract="0.25204502"
                           z3="4.24201"
                           zFract="0.19090954"/>
                     <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="-0.01933"
                           xFract="-0.00229028"
                           y3="2.09584"
                           yFract="0.24832227"
                           z3="8.44774"
                           zFract="0.38018632"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21565"
                           xFract="0.4994846"
                           y3="-0.03502"
                           yFract="-0.00414929"
                           z3="6.4613"
                           zFract="0.29078758"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.06776"
                           xFract="0.24499526"
                           y3="0.00906"
                           yFract="0.00107346"
                           z3="8.48692"
                           zFract="0.38194959"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33521"
                           xFract="0.7506173"
                           y3="0.0686"
                           yFract="0.00812796"
                           z3="8.51964"
                           zFract="0.38342214"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09723"
                           xFract="0.24848697"
                           y3="2.06258"
                           yFract="0.24438152"
                           z3="6.34256"
                           zFract="0.28544374"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03665"
                           xFract="-0.00434242"
                           y3="4.23047"
                           yFract="0.50124052"
                           z3="6.34613"
                           zFract="0.28560441"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.1426"
                           xFract="0.49082938"
                           y3="6.31195"
                           yFract="0.74786137"
                           z3="8.51857"
                           zFract="0.38337399"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08457"
                           xFract="0.24698697"
                           y3="4.18345"
                           yFract="0.49566943"
                           z3="8.43916"
                           zFract="0.37980018"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12081"
                           xFract="0.25128081"
                           y3="4.23732"
                           yFract="0.50205213"
                           z3="4.25449"
                           zFract="0.1914712"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3191"
                           xFract="0.74870853"
                           y3="4.1393"
                           yFract="0.49043839"
                           z3="8.46122"
                           zFract="0.38079298"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19468"
                           xFract="0.4970"
                           y3="2.09989"
                           yFract="0.24880213"
                           z3="8.45099"
                           zFract="0.38033258"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.2107"
                           xFract="0.4988981"
                           y3="6.33852"
                           yFract="0.75100948"
                           z3="4.2914"
                           zFract="0.19313231"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02499"
                           xFract="-0.0029609"
                           y3="0.00786"
                           yFract="0.00093128"
                           z3="6.34647"
                           zFract="0.28561971"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.36028"
                           xFract="0.75358768"
                           y3="0.01818"
                           yFract="0.00215403"
                           z3="4.29984"
                           zFract="0.19351215"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10601"
                           xFract="0.24952725"
                           y3="-0.03992"
                           yFract="-0.00472986"
                           z3="4.25441"
                           zFract="0.1914676"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02405"
                           xFract="0.00284953"
                           y3="6.34347"
                           yFract="0.75159597"
                           z3="4.20701"
                           zFract="0.18933438"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31236"
                           xFract="0.74790995"
                           y3="2.07277"
                           yFract="0.24558886"
                           z3="6.40408"
                           zFract="0.28821242"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10867"
                           xFract="0.01287559"
                           y3="6.32909"
                           yFract="0.74989218"
                           z3="8.43328"
                           zFract="0.37953555"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30766"
                           xFract="0.74735308"
                           y3="4.22717"
                           yFract="0.50084953"
                           z3="4.25125"
                           zFract="0.19132538"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23628"
                           xFract="0.50192891"
                           y3="2.06884"
                           yFract="0.24512322"
                           z3="4.25078"
                           zFract="0.19130423"/>
                     <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="0.04207"
                           xFract="0.0049846"
                           y3="2.09492"
                           yFract="0.24821327"
                           z3="6.3648"
                           zFract="0.28644464"/>
                     <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="2.27404"
                           xFract="0.26943602"
                           y3="-0.03874"
                           yFract="-0.00459005"
                           z3="6.44568"
                           zFract="0.29008461"/>
                     <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="0.00854"
                           xFract="0.00101185"
                           y3="0.18062"
                           yFract="0.02140047"
                           z3="4.24177"
                           zFract="0.19089874"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0426"
                           xFract="-0.00504739"
                           y3="-0.07449"
                           yFract="-0.00882583"
                           z3="8.5874"
                           zFract="0.38647165"/>
                     <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="1.99447"
                           xFract="0.23631161"
                           y3="2.15855"
                           yFract="0.25575237"
                           z3="4.22237"
                           zFract="0.19002565"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0749"
                           xFract="0.24584123"
                           y3="2.09643"
                           yFract="0.24839218"
                           z3="8.49306"
                           zFract="0.38222592"/>
                     <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="4.16188"
                           xFract="0.49311374"
                           y3="2.08252"
                           yFract="0.24674408"
                           z3="6.39527"
                           zFract="0.28781593"/>
                     <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="6.13851"
                           xFract="0.72731161"
                           y3="-0.1790"
                           yFract="-0.02120853"
                           z3="6.52324"
                           zFract="0.29357516"/>
                     <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="4.2460"
                           xFract="0.50308057"
                           y3="0.0126"
                           yFract="0.00149289"
                           z3="4.37114"
                           zFract="0.19672097"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20815"
                           xFract="0.49859597"
                           y3="0.00401"
                           yFract="0.00047512"
                           z3="8.61425"
                           zFract="0.38768002"/>
                     <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="6.49266"
                           xFract="0.76927251"
                           y3="2.12647"
                           yFract="0.25195142"
                           z3="4.29653"
                           zFract="0.19336319"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33269"
                           xFract="0.75031872"
                           y3="2.10339"
                           yFract="0.24921682"
                           z3="8.58192"
                           zFract="0.38622502"/>
                     <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="-0.02265"
                           xFract="-0.00268365"
                           y3="6.35781"
                           yFract="0.75329502"
                           z3="6.3219"
                           zFract="0.28451395"/>
                     <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="2.0910"
                           xFract="0.24774882"
                           y3="4.20442"
                           yFract="0.49815403"
                           z3="6.38377"
                           zFract="0.28729838"/>
                     <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="0.02787"
                           xFract="0.00330213"
                           y3="4.07863"
                           yFract="0.48325"
                           z3="4.29044"
                           zFract="0.19308911"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.03998"
                           xFract="-0.00473697"
                           y3="4.27706"
                           yFract="0.50676066"
                           z3="8.4752"
                           zFract="0.38142214"/>
                     <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="2.05291"
                           xFract="0.24323578"
                           y3="6.28177"
                           yFract="0.74428555"
                           z3="4.34336"
                           zFract="0.19547075"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13374"
                           xFract="0.2528128"
                           y3="6.31426"
                           yFract="0.74813507"
                           z3="8.60215"
                           zFract="0.38713546"/>
                     <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="4.2451"
                           xFract="0.50297393"
                           y3="6.30769"
                           yFract="0.74735664"
                           z3="6.49703"
                           zFract="0.29239559"/>
                     <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="6.31355"
                           xFract="0.74805095"
                           y3="4.38511"
                           yFract="0.5195628"
                           z3="6.43764"
                           zFract="0.28972277"/>
                     <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="4.19727"
                           xFract="0.49730687"
                           y3="4.15879"
                           yFract="0.49274763"
                           z3="4.32275"
                           zFract="0.1945432"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21291"
                           xFract="0.49915995"
                           y3="4.18878"
                           yFract="0.49630095"
                           z3="8.57407"
                           zFract="0.38587174"/>
                     <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="6.42163"
                           xFract="0.76085664"
                           y3="6.32927"
                           yFract="0.74991351"
                           z3="4.24071"
                           zFract="0.19085104"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.18482"
                           xFract="0.73279858"
                           y3="6.30895"
                           yFract="0.74750592"
                           z3="9.15782"
                           zFract="0.41214311"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.32916"
                           xFract="0.74990047"
                           y3="6.29654"
                           yFract="0.74603555"
                           z3="10.12512"
                           zFract="0.45567597"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21581"
                           xFract="0.49950355"
                           y3="4.20294"
                           yFract="0.49797867"
                           z3="6.41483"
                           zFract="0.28869622"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3164"
                           xFract="0.74838863"
                           y3="6.35164"
                           yFract="0.75256398"
                           z3="6.27675"
                           zFract="0.282482"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11655"
                           xFract="0.25077607"
                           y3="6.31623"
                           yFract="0.74836848"
                           z3="6.39115"
                           zFract="0.28763051"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02219"
                           xFract="0.00262915"
                           y3="2.12726"
                           yFract="0.25204502"
                           z3="4.24258"
                           zFract="0.19093519"/>
                     <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="-0.01965"
                           xFract="-0.0023282"
                           y3="2.09573"
                           yFract="0.24830924"
                           z3="8.4481"
                           zFract="0.38020252"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.21542"
                           xFract="0.49945735"
                           y3="-0.03466"
                           yFract="-0.00410664"
                           z3="6.46183"
                           zFract="0.29081143"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.0677"
                           xFract="0.24498815"
                           y3="0.00861"
                           yFract="0.00102014"
                           z3="8.48753"
                           zFract="0.38197705"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33516"
                           xFract="0.75061137"
                           y3="0.06839"
                           yFract="0.00810308"
                           z3="8.52053"
                           zFract="0.3834622"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09689"
                           xFract="0.24844668"
                           y3="2.06266"
                           yFract="0.244391"
                           z3="6.34264"
                           zFract="0.28544734"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.0368"
                           xFract="-0.00436019"
                           y3="4.2302"
                           yFract="0.50120853"
                           z3="6.3470"
                           zFract="0.28564356"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14238"
                           xFract="0.49080332"
                           y3="6.31202"
                           yFract="0.74786967"
                           z3="8.51938"
                           zFract="0.38341044"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08426"
                           xFract="0.24695024"
                           y3="4.18361"
                           yFract="0.49568839"
                           z3="8.43945"
                           zFract="0.37981323"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12114"
                           xFract="0.25131991"
                           y3="4.2372"
                           yFract="0.50203791"
                           z3="4.25452"
                           zFract="0.19147255"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.31914"
                           xFract="0.74871327"
                           y3="4.13919"
                           yFract="0.49042536"
                           z3="8.46166"
                           zFract="0.38081278"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19468"
                           xFract="0.4970"
                           y3="2.09963"
                           yFract="0.24877133"
                           z3="8.45158"
                           zFract="0.38035914"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21071"
                           xFract="0.49889929"
                           y3="6.33826"
                           yFract="0.75097867"
                           z3="4.29144"
                           zFract="0.19313411"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02519"
                           xFract="-0.0029846"
                           y3="0.00817"
                           yFract="0.00096801"
                           z3="6.34702"
                           zFract="0.28564446"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.36022"
                           xFract="0.75358057"
                           y3="0.01842"
                           yFract="0.00218246"
                           z3="4.29991"
                           zFract="0.1935153"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10614"
                           xFract="0.24954265"
                           y3="-0.03991"
                           yFract="-0.00472867"
                           z3="4.25476"
                           zFract="0.19148335"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02403"
                           xFract="0.00284716"
                           y3="6.34353"
                           yFract="0.75160308"
                           z3="4.20695"
                           zFract="0.18933168"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31229"
                           xFract="0.74790166"
                           y3="2.07275"
                           yFract="0.24558649"
                           z3="6.40436"
                           zFract="0.28822502"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10846"
                           xFract="0.01285071"
                           y3="6.32929"
                           yFract="0.74991588"
                           z3="8.43373"
                           zFract="0.37955581"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30746"
                           xFract="0.74732938"
                           y3="4.22715"
                           yFract="0.50084716"
                           z3="4.25116"
                           zFract="0.19132133"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23608"
                           xFract="0.50190521"
                           y3="2.06883"
                           yFract="0.24512204"
                           z3="4.25123"
                           zFract="0.19132448"/>
                     <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="0.04186"
                           xFract="0.00495972"
                           y3="2.09516"
                           yFract="0.24824171"
                           z3="6.36517"
                           zFract="0.2864613"/>
                     <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="2.27386"
                           xFract="0.26941469"
                           y3="-0.03878"
                           yFract="-0.00459479"
                           z3="6.44555"
                           zFract="0.29007876"/>
                     <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="0.00789"
                           xFract="0.00093483"
                           y3="0.18022"
                           yFract="0.02135308"
                           z3="4.2418"
                           zFract="0.19090009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04246"
                           xFract="-0.00503081"
                           y3="-0.07421"
                           yFract="-0.00879265"
                           z3="8.58787"
                           zFract="0.3864928"/>
                     <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="1.99447"
                           xFract="0.23631161"
                           y3="2.15789"
                           yFract="0.25567417"
                           z3="4.22273"
                           zFract="0.19004185"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.0746"
                           xFract="0.24580569"
                           y3="2.09641"
                           yFract="0.24838981"
                           z3="8.4937"
                           zFract="0.38225473"/>
                     <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="4.16181"
                           xFract="0.49310545"
                           y3="2.08224"
                           yFract="0.2467109"
                           z3="6.39548"
                           zFract="0.28782538"/>
                     <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="6.13885"
                           xFract="0.7273519"
                           y3="-0.17927"
                           yFract="-0.02124052"
                           z3="6.52427"
                           zFract="0.29362151"/>
                     <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="4.24671"
                           xFract="0.50316469"
                           y3="0.01279"
                           yFract="0.0015154"
                           z3="4.37158"
                           zFract="0.19674077"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20807"
                           xFract="0.49858649"
                           y3="0.00372"
                           yFract="0.00044076"
                           z3="8.61475"
                           zFract="0.38770252"/>
                     <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="6.49193"
                           xFract="0.76918602"
                           y3="2.12655"
                           yFract="0.2519609"
                           z3="4.2968"
                           zFract="0.19337534"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33286"
                           xFract="0.75033886"
                           y3="2.10366"
                           yFract="0.24924882"
                           z3="8.58227"
                           zFract="0.38624077"/>
                     <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="-0.02256"
                           xFract="-0.00267299"
                           y3="6.35747"
                           yFract="0.75325474"
                           z3="6.32187"
                           zFract="0.2845126"/>
                     <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="2.09107"
                           xFract="0.24775711"
                           y3="4.20435"
                           yFract="0.49814573"
                           z3="6.38365"
                           zFract="0.28729298"/>
                     <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="0.0282"
                           xFract="0.00334123"
                           y3="4.07881"
                           yFract="0.48327133"
                           z3="4.29014"
                           zFract="0.19307561"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.0402"
                           xFract="-0.00476303"
                           y3="4.27659"
                           yFract="0.50670498"
                           z3="8.47527"
                           zFract="0.38142529"/>
                     <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="2.05311"
                           xFract="0.24325948"
                           y3="6.28183"
                           yFract="0.74429265"
                           z3="4.34337"
                           zFract="0.1954712"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13413"
                           xFract="0.252859"
                           y3="6.31396"
                           yFract="0.74809953"
                           z3="8.60206"
                           zFract="0.38713141"/>
                     <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="4.24485"
                           xFract="0.50294431"
                           y3="6.30802"
                           yFract="0.74739573"
                           z3="6.49751"
                           zFract="0.29241719"/>
                     <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="6.31359"
                           xFract="0.74805569"
                           y3="4.38487"
                           yFract="0.51953436"
                           z3="6.43804"
                           zFract="0.28974077"/>
                     <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="4.19693"
                           xFract="0.49726659"
                           y3="4.15866"
                           yFract="0.49273223"
                           z3="4.32296"
                           zFract="0.19455266"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21279"
                           xFract="0.49914573"
                           y3="4.18893"
                           yFract="0.49631872"
                           z3="8.57447"
                           zFract="0.38588974"/>
                     <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="6.42147"
                           xFract="0.76083768"
                           y3="6.32901"
                           yFract="0.7498827"
                           z3="4.24078"
                           zFract="0.19085419"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.18435"
                           xFract="0.73274289"
                           y3="6.3088"
                           yFract="0.74748815"
                           z3="9.15863"
                           zFract="0.41217957"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a78" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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="6.32802"
                           xFract="0.7497654"
                           y3="6.2960"
                           yFract="0.74597156"
                           z3="10.12709"
                           zFract="0.45576463"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.21513"
                           xFract="0.49942299"
                           y3="4.2020"
                           yFract="0.4978673"
                           z3="6.41515"
                           zFract="0.28871062"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31599"
                           xFract="0.74834005"
                           y3="6.35219"
                           yFract="0.75262915"
                           z3="6.27742"
                           zFract="0.28251215"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.11672"
                           xFract="0.25079621"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="6.39342"
                           zFract="0.28773267"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02315"
                           xFract="0.00274289"
                           y3="2.12725"
                           yFract="0.25204384"
                           z3="4.24428"
                           zFract="0.1910117"/>
                     <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="-0.02062"
                           xFract="-0.00244313"
                           y3="2.0954"
                           yFract="0.24827014"
                           z3="8.44918"
                           zFract="0.38025113"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="4.2147"
                           xFract="0.49937204"
                           y3="-0.03356"
                           yFract="-0.0039763"
                           z3="6.46343"
                           zFract="0.29088344"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.06751"
                           xFract="0.24496564"
                           y3="0.00724"
                           yFract="0.00085782"
                           z3="8.48934"
                           zFract="0.38205851"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.33499"
                           xFract="0.75059123"
                           y3="0.06774"
                           yFract="0.00802607"
                           z3="8.52319"
                           zFract="0.38358191"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="2.09585"
                           xFract="0.24832346"
                           y3="2.06289"
                           yFract="0.24441825"
                           z3="6.34288"
                           zFract="0.28545815"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="-0.03725"
                           xFract="-0.00441351"
                           y3="4.22939"
                           yFract="0.50111256"
                           z3="6.34961"
                           zFract="0.28576103"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.14172"
                           xFract="0.49072512"
                           y3="6.31223"
                           yFract="0.74789455"
                           z3="8.52178"
                           zFract="0.38351845"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.08332"
                           xFract="0.24683886"
                           y3="4.18406"
                           yFract="0.49574171"
                           z3="8.44033"
                           zFract="0.37985284"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.12214"
                           xFract="0.25143839"
                           y3="4.23682"
                           yFract="0.50199289"
                           z3="4.25458"
                           zFract="0.19147525"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.31929"
                           xFract="0.74873104"
                           y3="4.13885"
                           yFract="0.49038507"
                           z3="8.46296"
                           zFract="0.38087129"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.19466"
                           xFract="0.49699763"
                           y3="2.09886"
                           yFract="0.24868009"
                           z3="8.45336"
                           zFract="0.38043924"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="4.21074"
                           xFract="0.49890284"
                           y3="6.33747"
                           yFract="0.75088507"
                           z3="4.29157"
                           zFract="0.19313996"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="-0.02579"
                           xFract="-0.00305569"
                           y3="0.00909"
                           yFract="0.00107701"
                           z3="6.34868"
                           zFract="0.28571917"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.36005"
                           xFract="0.75356043"
                           y3="0.01914"
                           yFract="0.00226777"
                           z3="4.3001"
                           zFract="0.19352385"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.10655"
                           xFract="0.24959123"
                           y3="-0.03991"
                           yFract="-0.00472867"
                           z3="4.25579"
                           zFract="0.1915297"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02396"
                           xFract="0.00283886"
                           y3="6.34372"
                           yFract="0.75162559"
                           z3="4.2068"
                           zFract="0.18932493"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.31211"
                           xFract="0.74788033"
                           y3="2.07271"
                           yFract="0.24558175"
                           z3="6.40519"
                           zFract="0.28826238"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.10782"
                           xFract="0.01277488"
                           y3="6.32988"
                           yFract="0.74998578"
                           z3="8.43507"
                           zFract="0.37961611"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.30684"
                           xFract="0.74725592"
                           y3="4.2271"
                           yFract="0.50084123"
                           z3="4.25087"
                           zFract="0.19130828"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.23547"
                           xFract="0.50183294"
                           y3="2.06882"
                           yFract="0.24512085"
                           z3="4.25257"
                           zFract="0.19138479"/>
                     <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="0.04123"
                           xFract="0.00488507"
                           y3="2.09589"
                           yFract="0.2483282"
                           z3="6.36628"
                           zFract="0.28651125"/>
                     <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="2.27331"
                           xFract="0.26934953"
                           y3="-0.03889"
                           yFract="-0.00460782"
                           z3="6.44514"
                           zFract="0.29006031"/>
                     <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="0.00593"
                           xFract="0.00070261"
                           y3="0.17903"
                           yFract="0.02121209"
                           z3="4.24186"
                           zFract="0.19090279"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04203"
                           xFract="-0.00497986"
                           y3="-0.07335"
                           yFract="-0.00869076"
                           z3="8.5893"
                           zFract="0.38655716"/>
                     <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="1.99447"
                           xFract="0.23631161"
                           y3="2.15591"
                           yFract="0.25543957"
                           z3="4.22381"
                           zFract="0.19009046"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.07369"
                           xFract="0.24569787"
                           y3="2.09638"
                           yFract="0.24838626"
                           z3="8.49562"
                           zFract="0.38234113"/>
                     <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="4.1616"
                           xFract="0.49308057"
                           y3="2.08142"
                           yFract="0.24661374"
                           z3="6.3961"
                           zFract="0.28785329"/>
                     <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="6.13985"
                           xFract="0.72747038"
                           y3="-0.18011"
                           yFract="-0.02134005"
                           z3="6.52736"
                           zFract="0.29376058"/>
                     <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="4.24886"
                           xFract="0.50341943"
                           y3="0.01339"
                           yFract="0.00158649"
                           z3="4.37292"
                           zFract="0.19680108"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.20786"
                           xFract="0.49856161"
                           y3="0.00286"
                           yFract="0.00033886"
                           z3="8.61625"
                           zFract="0.38777003"/>
                     <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="6.48975"
                           xFract="0.76892773"
                           y3="2.12678"
                           yFract="0.25198815"
                           z3="4.29764"
                           zFract="0.19341314"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="2.10447"
                           yFract="0.24934479"
                           z3="8.58332"
                           zFract="0.38628803"/>
                     <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="-0.0223"
                           xFract="-0.00264218"
                           y3="6.35647"
                           yFract="0.75313626"
                           z3="6.32177"
                           zFract="0.2845081"/>
                     <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="2.09127"
                           xFract="0.24778081"
                           y3="4.20414"
                           yFract="0.49812085"
                           z3="6.3833"
                           zFract="0.28727723"/>
                     <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="0.02919"
                           xFract="0.00345853"
                           y3="4.07936"
                           yFract="0.48333649"
                           z3="4.28924"
                           zFract="0.1930351"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.04087"
                           xFract="-0.00484242"
                           y3="4.27516"
                           yFract="0.50653555"
                           z3="8.47548"
                           zFract="0.38143474"/>
                     <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="2.05368"
                           xFract="0.24332701"
                           y3="6.28203"
                           yFract="0.74431635"
                           z3="4.34341"
                           zFract="0.195473"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13529"
                           xFract="0.25299645"
                           y3="6.31307"
                           yFract="0.74799408"
                           z3="8.60178"
                           zFract="0.38711881"/>
                     <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="4.24412"
                           xFract="0.50285782"
                           y3="6.3090"
                           yFract="0.74751185"
                           z3="6.49896"
                           zFract="0.29248245"/>
                     <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="6.3137"
                           xFract="0.74806872"
                           y3="4.38414"
                           yFract="0.51944787"
                           z3="6.43925"
                           zFract="0.28979523"/>
                     <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="4.19593"
                           xFract="0.4971481"
                           y3="4.15828"
                           yFract="0.4926872"
                           z3="4.32359"
                           zFract="0.19458101"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21241"
                           xFract="0.49910071"
                           y3="4.18935"
                           yFract="0.49636848"
                           z3="8.57568"
                           zFract="0.38594419"/>
                     <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="6.42097"
                           xFract="0.76077844"
                           y3="6.32824"
                           yFract="0.74979147"
                           z3="4.24099"
                           zFract="0.19086364"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.18295"
                           xFract="0.73257701"
                           y3="6.30836"
                           yFract="0.74743602"
                           z3="9.16105"
                           zFract="0.41228848"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a81" order="S"/>
                     <bond atomRefs2="a2 a73" order="S"/>
                     <bond atomRefs2="a2 a77" order="S"/>
                     <bond atomRefs2="a2 a75" order="S"/>
                     <bond atomRefs2="a2 a53" order="S"/>
                     <bond atomRefs2="a2 a65" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a73" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a72" order="S"/>
                     <bond atomRefs2="a5 a76" order="S"/>
                     <bond atomRefs2="a5 a79" order="S"/>
                     <bond atomRefs2="a5 a69" order="S"/>
                     <bond atomRefs2="a6 a70" order="S"/>
                     <bond atomRefs2="a6 a65" order="S"/>
                     <bond atomRefs2="a6 a63" order="S"/>
                     <bond atomRefs2="a6 a73" order="S"/>
                     <bond atomRefs2="a7 a50" order="S"/>
                     <bond atomRefs2="a7 a49" order="S"/>
                     <bond atomRefs2="a7 a44" order="S"/>
                     <bond atomRefs2="a7 a42" order="S"/>
                     <bond atomRefs2="a7 a64" order="S"/>
                     <bond atomRefs2="a7 a52" order="S"/>
                     <bond atomRefs2="a8 a67" order="S"/>
                     <bond atomRefs2="a8 a43" order="S"/>
                     <bond atomRefs2="a8 a50" order="S"/>
                     <bond atomRefs2="a8 a47" order="S"/>
                     <bond atomRefs2="a8 a42" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a57" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a55" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a48" order="S"/>
                     <bond atomRefs2="a12 a58" order="S"/>
                     <bond atomRefs2="a12 a20" order="S"/>
                     <bond atomRefs2="a13 a55" order="S"/>
                     <bond atomRefs2="a13 a61" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a20" order="S"/>
                     <bond atomRefs2="a14 a51" order="S"/>
                     <bond atomRefs2="a14 a45" order="S"/>
                     <bond atomRefs2="a14 a43" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a20" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a68" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a43" order="S"/>
                     <bond atomRefs2="a16 a73" order="S"/>
                     <bond atomRefs2="a16 a78" order="S"/>
                     <bond atomRefs2="a16 a81" order="S"/>
                     <bond atomRefs2="a16 a71" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a17 a71" order="S"/>
                     <bond atomRefs2="a17 a65" order="S"/>
                     <bond atomRefs2="a17 a34" order="S"/>
                     <bond atomRefs2="a17 a68" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a20" order="S"/>
                     <bond atomRefs2="a18 a67" order="S"/>
                     <bond atomRefs2="a18 a70" order="S"/>
                     <bond atomRefs2="a18 a65" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a20 a53" order="S"/>
                     <bond atomRefs2="a20 a58" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a51" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a79" order="S"/>
                     <bond atomRefs2="a22 a74" order="S"/>
                     <bond atomRefs2="a22 a76" order="S"/>
                     <bond atomRefs2="a22 a59" order="S"/>
                     <bond atomRefs2="a23 a47" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a77" order="S"/>
                     <bond atomRefs2="a24 a70" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a25 a59" order="S"/>
                     <bond atomRefs2="a25 a76" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a26 a47" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a62" order="S"/>
                     <bond atomRefs2="a27 a72" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a30 a63" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a32 a54" order="S"/>
                     <bond atomRefs2="a32 a59" order="S"/>
                     <bond atomRefs2="a32 a56" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a54" order="S"/>
                     <bond atomRefs2="a33 a44" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a71" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a72" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a36 a69" order="S"/>
                     <bond atomRefs2="a36 a64" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a49" order="S"/>
                     <bond atomRefs2="a36 a76" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a77" order="S"/>
                     <bond atomRefs2="a37 a80" order="S"/>
                     <bond atomRefs2="a37 a74" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a79" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a74" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a39 a60" order="S"/>
                     <bond atomRefs2="a39 a54" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a39 a52" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a66" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a42" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a60" order="S"/>
                     <bond atomRefs2="a41 a57" order="S"/>
                     <bond atomRefs2="a41 a53" order="S"/>
                     <bond atomRefs2="a41 a77" order="S"/>
                     <bond atomRefs2="a41 a50" 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">-0.002 0.004 0.012 -0.011 0.011 -0.002 -0.000 -0.006 0.016 0.004 0.004 -0.000 -0.000 0.002 0.002 -0.001 -0.001 -0.000 -0.000 0.001 -0.001 -0.004 -0.003 -0.000 0.013 -0.001 0.004 0.001 -0.001 -0.003 -0.002 -0.002 0.000 0.011 0.000 0.000 0.000 -0.001 0.002 -0.001 -0.003 0.006 0.003 0.005 0.007 0.010 0.002 0.006 0.006 0.004 0.003 0.005 0.010 0.003 -0.001 0.002 0.007 0.003 0.005 0.002 0.004 0.004 -0.001 0.001 0.008 0.011 -0.001 0.005 0.007 0.004 0.003 0.004 0.005 -0.000 0.002 0.005 0.005 0.004 0.011 -0.005 -0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.000 0.004 0.009 -0.009 0.013 -0.006 -0.004 0.005 0.015 0.005 0.004 0.000 0.000 0.004 0.003 -0.000 -0.000 0.001 -0.000 0.002 0.001 -0.002 -0.003 0.001 0.008 0.001 0.005 0.000 -0.000 0.001 -0.003 0.005 0.004 0.006 0.002 0.004 0.002 -0.004 0.004 0.002 -0.002 0.129 0.077 0.044 0.066 0.126 0.206 0.052 0.071 0.066 0.042 0.057 0.098 0.079 -0.050 0.014 0.155 0.061 0.072 0.062 0.071 0.072 0.009 -0.013 0.100 0.115 0.017 0.038 0.031 0.023 0.051 0.096 0.075 0.017 0.025 0.051 0.072 0.066 0.113 -0.111 0.003</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.457 1.251 -1.216 1.207 1.334 1.255 -0.656 1.303 1.358 0.900 -0.000 -0.000 0.001 0.001 -0.000 -0.000 0.000 -0.001 0.000 0.000 0.504 0.542 -0.052 -0.272 0.221 -0.324 0.443 0.469 -0.185 0.303 0.014 0.012 -0.001 0.007 0.011 0.006 -0.009 0.010 0.010 0.001 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">-0.002 1.466 1.272 -1.236 1.231 1.326 1.250 -0.657 1.334 1.368 0.909 -0.000 -0.001 0.007 0.007 -0.001 -0.001 0.001 -0.001 0.003 0.001 0.498 0.536 -0.051 -0.251 0.220 -0.316 0.444 0.468 -0.186 0.297 0.017 0.016 0.016 0.009 0.015 0.009 -0.014 0.016 0.011 -0.004 0.135 0.080 0.048 0.073 0.137 0.208 0.058 0.077 0.070 0.045 0.062 0.108 0.082 -0.051 0.016 0.162 0.064 0.077 0.063 0.075 0.076 0.008 -0.012 0.108 0.126 0.016 0.042 0.038 0.027 0.054 0.100 0.080 0.017 0.028 0.056 0.077 0.070 0.124 -0.115 0.002</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.205</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.424</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">9.904</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">12.534</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.54805833</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-425.53499447</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-425.54152640</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.8070</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1126218E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="6.32802"
                        xFract="0.7497654"
                        y3="6.2960"
                        yFract="0.74597156"
                        z3="10.12709"
                        zFract="0.45576463"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.21513"
                        xFract="0.49942299"
                        y3="4.2020"
                        yFract="0.4978673"
                        z3="6.41515"
                        zFract="0.28871062"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.31599"
                        xFract="0.74834005"
                        y3="6.35219"
                        yFract="0.75262915"
                        z3="6.27742"
                        zFract="0.28251215"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.11672"
                        xFract="0.25079621"
                        y3="6.3168"
                        yFract="0.74843602"
                        z3="6.39342"
                        zFract="0.28773267"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.02315"
                        xFract="0.00274289"
                        y3="2.12725"
                        yFract="0.25204384"
                        z3="4.24428"
                        zFract="0.1910117"/>
                  <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="-0.02062"
                        xFract="-0.00244313"
                        y3="2.0954"
                        yFract="0.24827014"
                        z3="8.44918"
                        zFract="0.38025113"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="4.2147"
                        xFract="0.49937204"
                        y3="-0.03356"
                        yFract="-0.0039763"
                        z3="6.46343"
                        zFract="0.29088344"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.06751"
                        xFract="0.24496564"
                        y3="0.00724"
                        yFract="0.00085782"
                        z3="8.48934"
                        zFract="0.38205851"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.33499"
                        xFract="0.75059123"
                        y3="0.06774"
                        yFract="0.00802607"
                        z3="8.52319"
                        zFract="0.38358191"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="2.09585"
                        xFract="0.24832346"
                        y3="2.06289"
                        yFract="0.24441825"
                        z3="6.34288"
                        zFract="0.28545815"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="-0.03725"
                        xFract="-0.00441351"
                        y3="4.22939"
                        yFract="0.50111256"
                        z3="6.34961"
                        zFract="0.28576103"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.14172"
                        xFract="0.49072512"
                        y3="6.31223"
                        yFract="0.74789455"
                        z3="8.52178"
                        zFract="0.38351845"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.08332"
                        xFract="0.24683886"
                        y3="4.18406"
                        yFract="0.49574171"
                        z3="8.44033"
                        zFract="0.37985284"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.12214"
                        xFract="0.25143839"
                        y3="4.23682"
                        yFract="0.50199289"
                        z3="4.25458"
                        zFract="0.19147525"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.31929"
                        xFract="0.74873104"
                        y3="4.13885"
                        yFract="0.49038507"
                        z3="8.46296"
                        zFract="0.38087129"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.19466"
                        xFract="0.49699763"
                        y3="2.09886"
                        yFract="0.24868009"
                        z3="8.45336"
                        zFract="0.38043924"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.21074"
                        xFract="0.49890284"
                        y3="6.33747"
                        yFract="0.75088507"
                        z3="4.29157"
                        zFract="0.19313996"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="-0.02579"
                        xFract="-0.00305569"
                        y3="0.00909"
                        yFract="0.00107701"
                        z3="6.34868"
                        zFract="0.28571917"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.36005"
                        xFract="0.75356043"
                        y3="0.01914"
                        yFract="0.00226777"
                        z3="4.3001"
                        zFract="0.19352385"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.10655"
                        xFract="0.24959123"
                        y3="-0.03991"
                        yFract="-0.00472867"
                        z3="4.25579"
                        zFract="0.1915297"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.02396"
                        xFract="0.00283886"
                        y3="6.34372"
                        yFract="0.75162559"
                        z3="4.2068"
                        zFract="0.18932493"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.31211"
                        xFract="0.74788033"
                        y3="2.07271"
                        yFract="0.24558175"
                        z3="6.40519"
                        zFract="0.28826238"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.10782"
                        xFract="0.01277488"
                        y3="6.32988"
                        yFract="0.74998578"
                        z3="8.43507"
                        zFract="0.37961611"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.30684"
                        xFract="0.74725592"
                        y3="4.2271"
                        yFract="0.50084123"
                        z3="4.25087"
                        zFract="0.19130828"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.23547"
                        xFract="0.50183294"
                        y3="2.06882"
                        yFract="0.24512085"
                        z3="4.25257"
                        zFract="0.19138479"/>
                  <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="0.04123"
                        xFract="0.00488507"
                        y3="2.09589"
                        yFract="0.2483282"
                        z3="6.36628"
                        zFract="0.28651125"/>
                  <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="2.27331"
                        xFract="0.26934953"
                        y3="-0.03889"
                        yFract="-0.00460782"
                        z3="6.44514"
                        zFract="0.29006031"/>
                  <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="0.00593"
                        xFract="0.00070261"
                        y3="0.17903"
                        yFract="0.02121209"
                        z3="4.24186"
                        zFract="0.19090279"/>
                  <atom elementType="O"
                        id="a48"
                        x3="-0.04203"
                        xFract="-0.00497986"
                        y3="-0.07335"
                        yFract="-0.00869076"
                        z3="8.5893"
                        zFract="0.38655716"/>
                  <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="1.99447"
                        xFract="0.23631161"
                        y3="2.15591"
                        yFract="0.25543957"
                        z3="4.22381"
                        zFract="0.19009046"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.07369"
                        xFract="0.24569787"
                        y3="2.09638"
                        yFract="0.24838626"
                        z3="8.49562"
                        zFract="0.38234113"/>
                  <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="4.1616"
                        xFract="0.49308057"
                        y3="2.08142"
                        yFract="0.24661374"
                        z3="6.3961"
                        zFract="0.28785329"/>
                  <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="6.13985"
                        xFract="0.72747038"
                        y3="-0.18011"
                        yFract="-0.02134005"
                        z3="6.52736"
                        zFract="0.29376058"/>
                  <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="4.24886"
                        xFract="0.50341943"
                        y3="0.01339"
                        yFract="0.00158649"
                        z3="4.37292"
                        zFract="0.19680108"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.20786"
                        xFract="0.49856161"
                        y3="0.00286"
                        yFract="0.00033886"
                        z3="8.61625"
                        zFract="0.38777003"/>
                  <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="6.48975"
                        xFract="0.76892773"
                        y3="2.12678"
                        yFract="0.25198815"
                        z3="4.29764"
                        zFract="0.19341314"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.33336"
                        xFract="0.7503981"
                        y3="2.10447"
                        yFract="0.24934479"
                        z3="8.58332"
                        zFract="0.38628803"/>
                  <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="-0.0223"
                        xFract="-0.00264218"
                        y3="6.35647"
                        yFract="0.75313626"
                        z3="6.32177"
                        zFract="0.2845081"/>
                  <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="2.09127"
                        xFract="0.24778081"
                        y3="4.20414"
                        yFract="0.49812085"
                        z3="6.3833"
                        zFract="0.28727723"/>
                  <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="0.02919"
                        xFract="0.00345853"
                        y3="4.07936"
                        yFract="0.48333649"
                        z3="4.28924"
                        zFract="0.1930351"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-0.04087"
                        xFract="-0.00484242"
                        y3="4.27516"
                        yFract="0.50653555"
                        z3="8.47548"
                        zFract="0.38143474"/>
                  <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="2.05368"
                        xFract="0.24332701"
                        y3="6.28203"
                        yFract="0.74431635"
                        z3="4.34341"
                        zFract="0.195473"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.13529"
                        xFract="0.25299645"
                        y3="6.31307"
                        yFract="0.74799408"
                        z3="8.60178"
                        zFract="0.38711881"/>
                  <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="4.24412"
                        xFract="0.50285782"
                        y3="6.3090"
                        yFract="0.74751185"
                        z3="6.49896"
                        zFract="0.29248245"/>
                  <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="6.3137"
                        xFract="0.74806872"
                        y3="4.38414"
                        yFract="0.51944787"
                        z3="6.43925"
                        zFract="0.28979523"/>
                  <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="4.19593"
                        xFract="0.4971481"
                        y3="4.15828"
                        yFract="0.4926872"
                        z3="4.32359"
                        zFract="0.19458101"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21241"
                        xFract="0.49910071"
                        y3="4.18935"
                        yFract="0.49636848"
                        z3="8.57568"
                        zFract="0.38594419"/>
                  <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="6.42097"
                        xFract="0.76077844"
                        y3="6.32824"
                        yFract="0.74979147"
                        z3="4.24099"
                        zFract="0.19086364"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.18295"
                        xFract="0.73257701"
                        y3="6.30836"
                        yFract="0.74743602"
                        z3="9.16105"
                        zFract="0.41228848"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a81" order="S"/>
                  <bond atomRefs2="a2 a73" order="S"/>
                  <bond atomRefs2="a2 a77" order="S"/>
                  <bond atomRefs2="a2 a75" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a2 a65" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a73" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a5 a72" order="S"/>
                  <bond atomRefs2="a5 a76" order="S"/>
                  <bond atomRefs2="a5 a79" order="S"/>
                  <bond atomRefs2="a5 a69" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a7 a49" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a42" order="S"/>
                  <bond atomRefs2="a7 a64" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a67" order="S"/>
                  <bond atomRefs2="a8 a43" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a11 a57" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a55" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a58" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a13 a55" order="S"/>
                  <bond atomRefs2="a13 a61" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a68" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a78" order="S"/>
                  <bond atomRefs2="a16 a81" order="S"/>
                  <bond atomRefs2="a16 a71" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a71" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a17 a34" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a67" order="S"/>
                  <bond atomRefs2="a18 a70" order="S"/>
                  <bond atomRefs2="a18 a65" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a20 a58" order="S"/>
                  <bond atomRefs2="a20 a61" order="S"/>
                  <bond atomRefs2="a20 a78" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a22 a76" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a24 a77" order="S"/>
                  <bond atomRefs2="a24 a70" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a25 a56" order="S"/>
                  <bond atomRefs2="a25 a59" order="S"/>
                  <bond atomRefs2="a25 a76" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a47" order="S"/>
                  <bond atomRefs2="a27 a69" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a62" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a28 a57" order="S"/>
                  <bond atomRefs2="a28 a60" order="S"/>
                  <bond atomRefs2="a29 a44" order="S"/>
                  <bond atomRefs2="a29 a47" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a53" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a54" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a63" order="S"/>
                  <bond atomRefs2="a34 a68" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a74" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a64" order="S"/>
                  <bond atomRefs2="a36 a66" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a36 a76" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a77" order="S"/>
                  <bond atomRefs2="a37 a80" order="S"/>
                  <bond atomRefs2="a37 a74" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a38 a79" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a39 a60" order="S"/>
                  <bond atomRefs2="a39 a54" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a39 a52" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a66" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a60" order="S"/>
                  <bond atomRefs2="a41 a57" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a41 a77" order="S"/>
                  <bond atomRefs2="a41 a50" 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>
