<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build Feb  3 2025 11:01:34) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="9.43950018"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        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="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2200"
                        xFract="0.5000"
                        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="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a57" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a4 a53" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a5 a55" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a58" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a44" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a53" order="S"/>
                  <bond atomRefs2="a7 a58" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a8 a62" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a78" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a75" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a66" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a50" 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="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a21 a59" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a22 a45" order="S"/>
                  <bond atomRefs2="a22 a48" order="S"/>
                  <bond atomRefs2="a23 a80" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a23 a75" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a62" order="S"/>
                  <bond atomRefs2="a25 a70" order="S"/>
                  <bond atomRefs2="a26 a77" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a65" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a68" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a67" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a77" order="S"/>
                  <bond atomRefs2="a30 a72" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a74" order="S"/>
                  <bond atomRefs2="a32 a80" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a77" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a59" order="S"/>
                  <bond atomRefs2="a33 a76" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a57" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a46" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a71" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a68" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg12Ni8O40Zn10">
                  <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2690.733200000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="9.43950016"
                        zFract="0.42481999"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        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="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2200"
                        xFract="0.5000"
                        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="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958887"
                        zFract="0.28485998"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960016"
                        zFract="0.37981999"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.21980009"
                        zFract="0.18990999"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960016"
                        zFract="0.37981999"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a57" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a4 a53" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a5 a55" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a58" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a44" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a53" order="S"/>
                  <bond atomRefs2="a7 a58" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a8 a62" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a78" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a75" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a66" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a50" 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="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a20 a54" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a21 a59" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a22 a45" order="S"/>
                  <bond atomRefs2="a22 a48" order="S"/>
                  <bond atomRefs2="a23 a80" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a23 a75" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a62" order="S"/>
                  <bond atomRefs2="a25 a70" order="S"/>
                  <bond atomRefs2="a26 a77" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a27 a65" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a68" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a67" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a77" order="S"/>
                  <bond atomRefs2="a30 a72" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a60" order="S"/>
                  <bond atomRefs2="a31 a74" order="S"/>
                  <bond atomRefs2="a32 a80" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a77" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a59" order="S"/>
                  <bond atomRefs2="a33 a76" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a57" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a46" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a71" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a68" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg12Ni8O40Zn10">
                  <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2690.733200000007</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</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">575.0000</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 8 12 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="712">-19.9686 -18.6641 -18.4053 -18.2915 -18.2588 -18.0719 -18.0235 -17.9628 -17.8799 -17.8620 -17.8091 -17.7698 -17.7307 -17.6937 -17.6602 -17.6303 -17.5920 -17.5810 -17.5499 -17.5253 -17.4929 -17.4700 -17.4492 -17.4418 -17.4108 -17.3651 -17.3495 -17.3225 -17.3085 -17.2812 -17.2657 -17.2330 -17.1987 -17.1742 -17.1064 -17.0992 -17.0401 -16.9892 -16.9385 -16.8879 -7.5353 -6.6968 -6.6500 -6.5972 -6.5597 -6.3396 -6.2931 -6.2630 -6.2448 -6.2311 -6.2213 -6.1941 -6.1728 -6.1452 -6.1163 -6.0939 -6.0695 -6.0300 -6.0101 -5.9765 -5.9637 -5.9152 -5.9020 -5.8808 -5.8557 -5.8410 -5.8276 -5.8175 -5.7968 -5.7706 -5.7507 -5.7308 -5.7065 -5.6958 -5.6618 -5.6283 -5.6239 -5.6094 -5.5869 -5.5770 -5.5578 -5.5517 -5.5331 -5.5146 -5.4787 -5.4680 -5.4523 -5.4134 -5.4035 -5.3820 -5.3559 -5.3264 -5.3034 -5.2630 -5.2522 -5.2241 -5.1997 -5.1765 -5.1562 -5.1263 -5.1178 -5.0885 -5.0485 -5.0202 -4.9961 -4.9735 -4.9309 -4.8952 -4.8677 -4.8378 -4.8035 -4.7880 -4.7287 -4.7091 -4.6490 -4.6327 -4.6158 -4.6107 -4.5803 -4.5248 -4.4851 -4.4698 -4.4530 -4.4163 -4.3828 -4.3487 -4.3241 -4.3092 -4.2790 -4.1975 -4.1577 -4.1405 -4.1114 -4.0937 -4.0686 -4.0296 -3.9967 -3.9720 -3.9514 -3.9098 -3.8810 -3.8547 -3.8386 -3.8031 -3.7817 -3.7712 -3.7144 -3.6533 -3.6500 -3.6112 -3.5905 -3.5440 -3.5279 -3.5005 -3.4757 -3.4376 -3.4262 -3.3970 -3.3524 -3.3436 -3.3072 -3.2705 -3.2424 -3.2278 -3.1908 -3.1599 -3.1239 -3.0898 -3.0675 -3.0426 -2.9958 -2.9789 -2.9361 -2.9082 -2.8720 -2.8348 -2.7929 -2.7573 -2.7401 -2.7212 -2.7010 -2.6437 -2.6205 -2.5983 -2.5420 -2.5080 -2.4712 -2.4650 -2.4413 -2.4095 -2.3488 -2.3253 -2.2985 -2.2734 -2.2252 -2.1532 -2.1279 -2.0921 -2.0557 -2.0257 -1.9716 -1.9441 -1.9068 -1.8489 -1.8305 -1.7722 -1.7382 -1.6888 -1.6384 -1.5992 -1.5641 -1.5202 -1.5053 -1.4835 -1.4558 -1.4420 -1.4199 -1.3953 -1.3664 -1.3499 -1.3223 -1.2968 -1.2903 -1.2551 -1.2392 -1.2331 -1.2207 -1.1966 -1.1640 -1.1504 -1.1473 -1.1294 -1.1128 -1.0896 -1.0768 -1.0583 -1.0490 -1.0374 -1.0231 -1.0021 -0.9950 -0.9765 -0.9655 -0.9530 -0.9425 -0.9241 -0.9135 -0.8999 -0.8779 -0.8734 -0.8641 -0.8417 -0.8374 -0.8145 -0.8100 -0.7915 -0.7608 -0.7491 -0.7312 -0.7128 -0.6960 -0.6807 -0.6587 -0.6344 -0.6002 -0.5799 -0.5536 -0.5210 -0.4903 -0.4661 -0.4540 -0.4352 -0.4038 -0.3848 -0.3685 -0.3241 -0.2956 -0.2810 -0.2178 -0.1774 -0.1607 -0.0833 -0.0631 -0.0053 0.0705 0.1116 0.1653 0.1776 0.2307 0.2595 0.3642 0.4868 0.5742 0.6448 0.6612 0.7066 0.7306 0.9654 1.1983 1.2869 2.1470 2.5249 3.4547 3.6110 3.8342 3.8725 3.9592 4.3817 4.6133 4.6442 4.7100 4.7779 4.8900 4.9154 5.0713 5.1697 5.4157 5.4816 5.5227 5.6652 5.7447 5.7958 5.8469 5.8888 5.9614 6.0142 6.0204 6.1355 6.1731 6.2636 6.3588 6.4162 6.5227 6.5761 6.6495 6.7087 6.7937 6.8783 6.9717 7.0481 7.1241 7.1418 7.2247 7.2665 7.3179 7.4593 7.4856 7.5560 7.6553 7.7576 7.7717 7.8940 7.9296 8.0249 8.0776 8.1297 -19.9686 -18.6639 -18.4030 -18.3084 -18.2403 -18.0880 -18.0100 -17.9583 -17.8842 -17.8491 -17.8219 -17.7734 -17.7412 -17.6928 -17.6567 -17.6199 -17.5972 -17.5748 -17.5415 -17.5337 -17.4986 -17.4743 -17.4504 -17.4369 -17.4008 -17.3633 -17.3562 -17.3290 -17.3035 -17.2850 -17.2471 -17.2282 -17.2212 -17.1812 -17.1009 -17.0914 -17.0414 -16.9912 -16.9389 -16.8878 -7.5348 -6.6963 -6.6400 -6.5950 -6.5528 -6.3245 -6.2863 -6.2683 -6.2552 -6.2508 -6.2266 -6.1933 -6.1523 -6.1275 -6.1181 -6.0824 -6.0579 -6.0415 -6.0153 -5.9960 -5.9732 -5.9450 -5.9061 -5.8748 -5.8640 -5.8384 -5.8200 -5.8125 -5.7999 -5.7802 -5.7437 -5.7269 -5.7232 -5.6989 -5.6845 -5.6669 -5.6226 -5.6132 -5.6029 -5.5745 -5.5624 -5.5409 -5.5174 -5.4949 -5.4782 -5.4712 -5.4510 -5.4330 -5.4131 -5.3820 -5.3462 -5.3350 -5.3104 -5.2831 -5.2557 -5.2441 -5.2117 -5.1776 -5.1462 -5.1102 -5.0862 -5.0494 -5.0363 -4.9953 -4.9815 -4.9486 -4.9018 -4.8847 -4.8570 -4.8206 -4.7903 -4.7548 -4.7298 -4.7122 -4.7030 -4.6634 -4.6436 -4.5713 -4.5535 -4.4994 -4.4600 -4.4507 -4.4292 -4.4034 -4.3874 -4.3577 -4.3141 -4.2820 -4.2605 -4.2275 -4.2048 -4.1529 -4.1345 -4.1133 -4.0624 -4.0364 -4.0081 -3.9912 -3.9732 -3.9572 -3.9260 -3.8739 -3.8438 -3.8090 -3.7715 -3.7512 -3.7256 -3.6660 -3.6627 -3.6413 -3.6173 -3.5771 -3.5208 -3.5101 -3.4596 -3.4337 -3.4108 -3.3852 -3.3671 -3.3310 -3.3037 -3.2652 -3.2460 -3.2180 -3.1896 -3.1697 -3.1393 -3.0827 -3.0695 -3.0140 -2.9867 -2.9524 -2.9294 -2.8803 -2.8579 -2.8206 -2.8028 -2.7609 -2.7442 -2.7296 -2.6950 -2.6160 -2.6099 -2.5951 -2.5489 -2.5086 -2.4810 -2.4463 -2.4186 -2.3921 -2.3700 -2.3132 -2.2733 -2.2437 -2.1898 -2.1664 -2.1415 -2.1182 -2.0610 -2.0154 -1.9528 -1.9338 -1.8849 -1.8530 -1.8035 -1.7719 -1.7413 -1.7288 -1.6443 -1.5975 -1.5829 -1.5671 -1.5391 -1.5088 -1.4915 -1.4495 -1.4141 -1.3844 -1.3683 -1.3392 -1.3181 -1.3006 -1.2694 -1.2634 -1.2367 -1.2264 -1.2180 -1.1950 -1.1732 -1.1605 -1.1427 -1.1308 -1.1145 -1.0944 -1.0839 -1.0644 -1.0443 -1.0331 -1.0226 -1.0096 -0.9918 -0.9811 -0.9656 -0.9612 -0.9491 -0.9232 -0.9149 -0.9006 -0.8870 -0.8716 -0.8634 -0.8434 -0.8284 -0.8189 -0.7944 -0.7831 -0.7728 -0.7640 -0.7378 -0.7050 -0.6884 -0.6771 -0.6606 -0.6207 -0.5996 -0.5831 -0.5539 -0.5114 -0.5005 -0.4699 -0.4504 -0.4250 -0.4048 -0.3949 -0.3566 -0.3365 -0.2879 -0.2749 -0.2011 -0.1773 -0.1602 -0.0876 -0.0549 0.0013 0.0848 0.0971 0.1546 0.1979 0.2437 0.2531 0.3623 0.4888 0.5656 0.6361 0.6643 0.7056 0.7255 0.9628 1.1973 1.2870 2.1474 2.5280 3.4500 3.6005 3.7929 3.8614 4.0840 4.3830 4.5413 4.6277 4.6560 4.7389 4.8551 5.0126 5.1744 5.2797 5.3424 5.4830 5.6157 5.6478 5.6974 5.7391 5.8513 5.9104 5.9332 5.9676 6.0174 6.0657 6.1503 6.1755 6.3649 6.4491 6.5387 6.6215 6.6720 6.7484 6.8342 6.8849 6.9964 7.0520 7.1130 7.1646 7.2561 7.2977 7.3884 7.4204 7.5138 7.5230 7.6362 7.7374 7.8153 7.8711 7.9324 8.0219 8.0590 8.1221</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="712">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99913 0.03176 0.00128 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99991 0.10675 0.00060 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="712">-19.9795 -18.5532 -18.2737 -18.1970 -18.1531 -17.9654 -17.9500 -17.8762 -17.7738 -17.7537 -17.7025 -17.6710 -17.6132 -17.6038 -17.5653 -17.5478 -17.5179 -17.5014 -17.4641 -17.4445 -17.4157 -17.3779 -17.3595 -17.3244 -17.3132 -17.2834 -17.2544 -17.2403 -17.2065 -17.1927 -17.1768 -17.1325 -17.1208 -17.0945 -17.0300 -17.0262 -16.9693 -16.9440 -16.8875 -16.8463 -7.5436 -6.6352 -6.6001 -6.5458 -6.5086 -6.2989 -6.2565 -6.2262 -6.2099 -6.1900 -6.1675 -6.1327 -6.1279 -6.1014 -6.0747 -6.0539 -6.0391 -6.0077 -5.9796 -5.9428 -5.9266 -5.8788 -5.8631 -5.8366 -5.8214 -5.8019 -5.7906 -5.7721 -5.7601 -5.7236 -5.7139 -5.6869 -5.6786 -5.6658 -5.6272 -5.5994 -5.5876 -5.5789 -5.5579 -5.5487 -5.5255 -5.5138 -5.5009 -5.4904 -5.4522 -5.4283 -5.4166 -5.3828 -5.3589 -5.3289 -5.3033 -5.2812 -5.2466 -5.2113 -5.1996 -5.1758 -5.1448 -5.1357 -5.1032 -5.0740 -5.0596 -5.0327 -4.9929 -4.9503 -4.9233 -4.9046 -4.8784 -4.8505 -4.8066 -4.7557 -4.7427 -4.7081 -4.6627 -4.6354 -4.5997 -4.5527 -4.5288 -4.4859 -4.4607 -4.4321 -4.3962 -4.3624 -4.3433 -4.3073 -4.2699 -4.2298 -4.1819 -4.1672 -4.1177 -4.0786 -4.0165 -3.9861 -3.9464 -3.9178 -3.8943 -3.8630 -3.8252 -3.8020 -3.7421 -3.7254 -3.6971 -3.6440 -3.6267 -3.5907 -3.5852 -3.5415 -3.5193 -3.4968 -3.4586 -3.4196 -3.4027 -3.3902 -3.3733 -3.3251 -3.3115 -3.2858 -3.2663 -3.2260 -3.2077 -3.1804 -3.1570 -3.1259 -3.0941 -3.0724 -3.0383 -3.0254 -2.9680 -2.9382 -2.9026 -2.8838 -2.8536 -2.8324 -2.8133 -2.7593 -2.7163 -2.6668 -2.6450 -2.6381 -2.6074 -2.5641 -2.5341 -2.5025 -2.4898 -2.4325 -2.4012 -2.3710 -2.3507 -2.3098 -2.2826 -2.2419 -2.2114 -2.1845 -2.1405 -2.1173 -2.0755 -2.0068 -1.9581 -1.9305 -1.8872 -1.8643 -1.8291 -1.8088 -1.7689 -1.7151 -1.6898 -1.6542 -1.6081 -1.5767 -1.4977 -1.4794 -1.4285 -1.3965 -1.3788 -1.3644 -1.3227 -1.2754 -1.2595 -1.2338 -1.2067 -1.1943 -1.1689 -1.1479 -1.1287 -1.1018 -1.0714 -1.0533 -1.0368 -0.9927 -0.9756 -0.9571 -0.9051 -0.8658 -0.8404 -0.8167 -0.8040 -0.7941 -0.7860 -0.7679 -0.7589 -0.7398 -0.7123 -0.6706 -0.6595 -0.6193 -0.6047 -0.5837 -0.5286 -0.5215 -0.4796 -0.4344 -0.4205 -0.3899 -0.3747 -0.3594 -0.3449 -0.3188 -0.3084 -0.2726 -0.2637 -0.2360 -0.2266 -0.2223 -0.1895 -0.1784 -0.1621 -0.1519 -0.1219 -0.1002 -0.0800 -0.0421 -0.0247 -0.0100 0.0034 0.0412 0.0826 0.1225 0.2106 0.2430 0.3320 0.4413 0.4731 0.6050 0.6271 0.6890 0.7838 0.8566 0.8672 0.9058 0.9464 1.0434 1.1793 1.3070 1.3903 1.4275 1.4775 1.5758 1.6790 1.7298 1.8232 2.0836 2.1952 2.6282 3.4956 3.6602 3.8798 3.9695 4.1157 4.4340 4.6510 4.6716 4.7092 4.8821 4.9032 4.9615 5.1212 5.2640 5.4528 5.5249 5.6615 5.6954 5.7690 5.8305 5.9004 5.9444 6.0205 6.0519 6.1046 6.1832 6.2538 6.3430 6.3998 6.4642 6.5591 6.6087 6.6796 6.7521 6.8118 6.8873 6.9801 7.0581 7.1544 7.1814 7.2670 7.3042 7.3319 7.4632 7.5158 7.5994 7.6934 7.7665 7.7941 7.8663 7.9274 8.0377 8.1086 8.1516 -19.9795 -18.5528 -18.2734 -18.2064 -18.1405 -17.9852 -17.9383 -17.8623 -17.7855 -17.7492 -17.7026 -17.6712 -17.6307 -17.5968 -17.5651 -17.5401 -17.5245 -17.4895 -17.4665 -17.4443 -17.4170 -17.3809 -17.3559 -17.3323 -17.3070 -17.2802 -17.2546 -17.2374 -17.2063 -17.1938 -17.1766 -17.1431 -17.1263 -17.0893 -17.0211 -17.0185 -16.9779 -16.9488 -16.8857 -16.8456 -7.5432 -6.6355 -6.5886 -6.5443 -6.5013 -6.2951 -6.2518 -6.2262 -6.2064 -6.1974 -6.1670 -6.1605 -6.1109 -6.0859 -6.0682 -6.0411 -6.0255 -6.0070 -5.9868 -5.9537 -5.9416 -5.9191 -5.8670 -5.8389 -5.8266 -5.8024 -5.7866 -5.7746 -5.7595 -5.7361 -5.7113 -5.6838 -5.6786 -5.6643 -5.6537 -5.6342 -5.6069 -5.5754 -5.5698 -5.5393 -5.5284 -5.5079 -5.4895 -5.4588 -5.4476 -5.4390 -5.4163 -5.3910 -5.3671 -5.3387 -5.2981 -5.2759 -5.2594 -5.2329 -5.2191 -5.1818 -5.1496 -5.1218 -5.0962 -5.0388 -5.0283 -5.0004 -4.9833 -4.9423 -4.9122 -4.8716 -4.8473 -4.8273 -4.7872 -4.7681 -4.7237 -4.6878 -4.6762 -4.6409 -4.6196 -4.5830 -4.5341 -4.5033 -4.4768 -4.4065 -4.3803 -4.3478 -4.3052 -4.2953 -4.2692 -4.2275 -4.1936 -4.1617 -4.1281 -4.0726 -4.0521 -4.0029 -3.9715 -3.9453 -3.9002 -3.8672 -3.8400 -3.8208 -3.7809 -3.7476 -3.6958 -3.6766 -3.6113 -3.5933 -3.5677 -3.5415 -3.5120 -3.4933 -3.4572 -3.4241 -3.4018 -3.3912 -3.3638 -3.3326 -3.3094 -3.2695 -3.2596 -3.2368 -3.2084 -3.1716 -3.1630 -3.1347 -3.0989 -3.0517 -3.0427 -3.0117 -2.9748 -2.9459 -2.9171 -2.8799 -2.8486 -2.8263 -2.7918 -2.7581 -2.7262 -2.7139 -2.6643 -2.6276 -2.5883 -2.5649 -2.5192 -2.4753 -2.4360 -2.4212 -2.4029 -2.3855 -2.3409 -2.3194 -2.2883 -2.2364 -2.1941 -2.1839 -2.1397 -2.0939 -2.0845 -2.0181 -1.9482 -1.9168 -1.9054 -1.8645 -1.8260 -1.7525 -1.7441 -1.7232 -1.6993 -1.6458 -1.6078 -1.5861 -1.5018 -1.4706 -1.4587 -1.4177 -1.3913 -1.3628 -1.3445 -1.2964 -1.2683 -1.2445 -1.2073 -1.1832 -1.1765 -1.1412 -1.1335 -1.1030 -1.0707 -1.0556 -1.0296 -0.9893 -0.9639 -0.9428 -0.8948 -0.8760 -0.8376 -0.8258 -0.8057 -0.8005 -0.7827 -0.7804 -0.7590 -0.7382 -0.7141 -0.6766 -0.6605 -0.6239 -0.5886 -0.5705 -0.5223 -0.5169 -0.4818 -0.4601 -0.4380 -0.3957 -0.3860 -0.3671 -0.3500 -0.3311 -0.3172 -0.2937 -0.2679 -0.2423 -0.2269 -0.2019 -0.1770 -0.1631 -0.1492 -0.1241 -0.1183 -0.0999 -0.0841 -0.0547 -0.0297 -0.0104 0.0071 0.0435 0.0844 0.1205 0.2129 0.2407 0.3287 0.4454 0.4685 0.6118 0.6389 0.6946 0.7813 0.8565 0.8736 0.9084 0.9548 1.0394 1.1786 1.3062 1.3851 1.4203 1.4956 1.5793 1.6669 1.7190 1.8281 2.0806 2.1945 2.6321 3.4930 3.6540 3.8956 3.9035 4.2389 4.4220 4.5654 4.6873 4.7134 4.7761 4.8807 5.0339 5.2818 5.3539 5.3874 5.5229 5.6281 5.6860 5.7536 5.8203 5.8795 5.9625 5.9901 6.0289 6.1003 6.1420 6.2054 6.2895 6.3985 6.4935 6.5825 6.6306 6.7088 6.7779 6.8780 6.8991 7.0162 7.0343 7.1326 7.2122 7.2749 7.3321 7.4164 7.4440 7.5357 7.5602 7.6760 7.7640 7.8205 7.8847 7.9063 8.0177 8.1006 8.1650</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="712">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.83113 0.27279 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.68225 0.07440 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="85"
                          units="nonsi2:ev.angstrom-1">-0.384489 -0.223710 -0.331957 -0.034896 -0.086675 -0.109278 -0.080231 -0.157561 -0.093984 0.229546 0.019851 0.231061 0.242050 0.100814 -0.365652 -0.233173 -0.034893 0.291651 -0.102764 -0.278716 0.216407 0.084190 -0.075663 0.148702 -0.085006 0.071171 0.265179 0.157020 0.034822 0.321769 1.406294 -0.478353 -0.938716 -0.155015 0.475817 -0.500500 -0.071814 -0.164132 0.527685 0.091338 0.350479 -0.349242 0.044843 0.348906 -0.003847 0.060865 -0.033075 -0.277481 -0.287281 0.071861 -0.344900 0.198090 -0.052603 -0.114338 0.483042 -0.102035 -0.526885 -0.229837 -0.139824 -0.202726 0.267274 0.143497 0.507055 -0.114344 -1.330549 0.433660 -0.045852 -0.047855 0.037192 0.106887 -0.072510 -0.850827 0.078068 -0.065674 -0.075864 0.086736 0.031387 -0.045402 0.059161 0.091005 -0.010111 -1.467304 -0.113412 0.502739 -0.080813 -0.002754 0.125396 -0.067384 0.005554 0.099881 -0.019082 0.214233 -0.222750 -0.069131 0.076599 -0.093191 0.073604 0.110615 -0.033420 0.183062 -0.209761 0.219828 -0.212963 -0.004845 -0.043968 -0.119758 0.116162 0.235489 -0.010929 0.000163 -0.263016 0.111146 0.222229 0.063675 -0.315943 -0.179579 -1.331711 0.016653 -0.120373 0.193360 -0.385113 1.628902 -0.490760 0.468957 0.306954 -0.334994 -0.113657 -0.497238 -0.726224 0.499854 0.185647 -0.468052 0.069520 0.531550 -0.550814 0.205167 0.033981 -0.314723 -0.448208 -0.007828 0.303959 -0.129523 0.082276 0.056648 -0.164833 -0.255768 -0.061033 0.471562 0.414766 -0.513325 0.933068 0.229307 2.543398 -0.415364 -0.522490 0.493408 -0.004201 0.154292 0.207971 -0.427160 -0.606717 0.063462 -0.072954 0.576163 0.113947 -0.057042 -0.229994 -0.052903 0.391931 0.470546 -0.209357 0.067430 0.277485 0.224265 0.170395 -0.067953 -0.357824 -0.400773 -0.529433 0.471694 -0.503691 -0.147073 0.044603 -0.800220 -0.272932 -0.265565 -0.113589 0.460303 -0.198305 -0.557803 -0.298860 0.554429 0.661412 -0.631365 -0.153442 0.028697 -0.030670 -0.046627 0.470778 0.002596 -0.357328 0.199495 -0.186898 0.531067 -0.018413 0.274925 -0.311267 -0.244267 -0.280060 -0.055402 0.191627 -0.133124 0.523810 0.790725 0.513225 -0.565781 0.113024 0.019637 0.603730 0.411744 0.628687 0.826122 -0.581739 -0.513002 0.396062 0.067082 0.174405 -0.335318 -0.486148 -0.577700 0.388868 0.030831 -0.364726 0.503053 -0.083146 0.126074 0.124568 0.241774 0.467160 -0.530240 -0.269088 0.084338 0.633253 -0.829610 -0.288178 8.462411 -0.040936 -0.062238 -0.119838 -0.035523 -0.102677 -0.160173 -0.012385 -0.083470 -0.008145 0.064743 -0.139079 -0.190770 -0.237573 -0.026240 0.288129 -0.023667 0.011807 0.125017 0.091314 -0.072116 0.168582 -0.085157 0.068648 0.273677 0.070967 0.053647 0.123052 0.270556 -0.080877 -0.499149 0.121452 0.124895 -0.096660 -0.075799 -0.165444 0.504318 -0.024772 0.046098 0.061120 0.057444 0.124064 -0.021586 0.055762 -0.014439 -0.228102 -0.246495 0.061053 -0.358192 0.109222 -0.007200 0.029387 0.102409 0.091984 -0.216555 -0.058402 -0.023858 -0.071332 0.268408 0.151044 0.506686 -0.036202 -0.401882 0.276185 0.007982 0.042613 0.103514 0.107630 -0.080300 -0.877034 0.030149 -0.080749 -0.115375 0.045214 0.014652 0.018667 0.006052 0.022092 -0.085551 -0.528183 -0.093862 0.275323 0.021137 -0.002013 0.047620 -0.047624 -0.009695 0.142666 -0.009465 0.173871 -0.149996 -0.068215 0.010130 -0.012138 0.071534 0.113847 -0.034105 0.067680 -0.104647 0.010382 -0.210164 -0.011173 -0.031395 -0.101389 0.009398 0.000182 -0.005536 0.006368 -0.133247 -0.164729 0.116517 0.042872 -0.115949 -0.000533 -0.379574 -0.008078 -0.005936 0.113687 0.043651 0.322037 -0.294395 0.393223 0.294687 -0.319741 -0.045647 -0.247791 -0.198174 0.490273 0.145361 -0.417197 0.058038 0.351666 -0.206735 0.207955 0.030710 -0.324606 -0.174803 -0.006690 0.110915 -0.070780 0.009134 0.084056 -0.168359 -0.262358 -0.065143 0.221717 0.152641 -0.522790 1.080785 0.213949 -7.054682 -0.326965 -0.503659 0.390659 0.047428 -0.075772 -0.007263 -0.429397 -0.591915 -0.035486 -0.091548 0.396967 0.130076 -0.063281 -0.238306 -0.041131 0.153580 0.120740 -0.144479 0.080113 -0.021956 0.088744 0.175707 -0.051573 -0.368614 -0.170994 -0.141366 0.307184 -0.083807 -0.102386 0.041877 -0.798070 -0.261073 -0.296079 -0.100431 0.243676 0.041149 -0.494679 -0.229466 0.448107 0.273938 -0.404111 -0.092306 0.007508 -0.027414 -0.050460 0.133048 -0.005862 -0.173664 0.031812 -0.056206 0.362321 -0.018823 0.283403 -0.297743 -0.015326 -0.078124 -0.063753 0.045450 0.175226 0.411092 0.785585 0.494152 -0.497881 0.099770 0.069447 0.194955 0.368333 0.607821 0.890396 -0.228643 -0.366368 0.065010 0.083014 0.179772 -0.354583 -0.116405 -0.146392 0.148542 0.105679 -0.019257 0.180385 -0.088507 0.108978 0.161510 0.000218 0.112689 -0.392419 -0.004164 0.138868 0.377784 -0.586416 -0.222568 5.995424 -0.039765 -0.066227 -0.120249 -0.042551 -0.113958 -0.148106 0.033108 -0.065223 0.040645 0.097067 -0.096393 -0.227604 -0.236701 -0.027767 0.288219 -0.038220 -0.042621 0.143523 0.090307 -0.072710 0.166364 -0.084440 0.068943 0.271882 0.085812 0.050158 0.167866 0.516644 -0.163265 -0.602504 0.067059 0.192721 -0.180629 -0.075100 -0.164587 0.506352 -0.000123 0.103735 -0.016823 0.053607 0.166467 -0.019969 0.056165 -0.018187 -0.237071 -0.253606 0.064158 -0.356438 0.126775 -0.016276 0.002804 0.177533 0.051186 -0.283051 -0.090727 -0.045343 -0.096476 0.268253 0.148257 0.505685 -0.055280 -0.575041 0.295097 -0.002004 0.026567 0.091719 0.107793 -0.078736 -0.872991 0.038082 -0.077731 -0.109492 0.053959 0.017445 0.004286 0.016434 0.035853 -0.068427 -0.675016 -0.106535 0.303473 -0.000352 0.000702 0.055192 -0.051258 -0.007154 0.134789 -0.011490 0.181494 -0.164945 -0.066364 0.021568 -0.028351 0.071421 0.112847 -0.035422 0.087020 -0.121489 0.051577 -0.210761 -0.010143 -0.034476 -0.103701 0.031550 0.046790 -0.006004 0.004735 -0.158866 -0.109177 0.137517 0.045156 -0.155982 -0.040310 -0.535491 -0.002771 -0.027422 0.126799 -0.040453 0.584535 -0.340955 0.400931 0.296642 -0.323858 -0.054929 -0.278548 -0.287159 0.492623 0.152297 -0.427499 0.060170 0.390287 -0.271658 0.207826 0.031374 -0.323467 -0.224165 -0.008350 0.151935 -0.087196 0.013265 0.082743 -0.167519 -0.261295 -0.064833 0.265098 0.200298 -0.520699 0.887914 0.174379 -4.441807 -0.336570 -0.505838 0.410252 0.035297 -0.030977 0.043057 -0.429333 -0.594878 -0.016196 -0.087081 0.431083 0.127752 -0.062258 -0.237002 -0.043636 0.199559 0.177141 -0.156606 0.078841 0.043580 0.120757 0.175068 -0.053421 -0.363763 -0.212260 -0.214505 0.336054 -0.201058 -0.101306 0.048642 -0.798553 -0.263421 -0.291364 -0.103702 0.270405 -0.007393 -0.506155 -0.242344 0.468718 0.342079 -0.445648 -0.102930 0.010880 -0.028274 -0.050585 0.195744 -0.002713 -0.209022 0.063724 -0.068136 0.400400 -0.018270 0.281720 -0.300979 -0.043972 -0.117691 -0.059962 0.072228 0.092674 0.429398 0.786858 0.496466 -0.503638 0.099384 0.059983 0.274699 0.375739 0.611840 0.876861 -0.296789 -0.392340 0.134935 0.080941 0.178685 -0.350345 -0.187197 -0.216422 0.196044 0.091805 -0.090714 0.246176 -0.087710 0.111751 0.154570 0.029491 0.179408 -0.417556 -0.056264 0.119789 0.426659 -0.423608 -0.144306 2.791961 -0.042363 -0.062297 -0.115439 -0.029563 -0.090954 -0.173819 -0.054838 -0.099866 -0.051051 0.024727 -0.174870 -0.141419 -0.238138 -0.025044 0.288468 -0.013470 0.061462 0.096338 0.093111 -0.071805 0.172536 -0.085126 0.067928 0.275240 0.056948 0.059491 0.072445 0.030863 0.002839 -0.386510 0.168270 0.054051 -0.006441 -0.076794 -0.166132 0.506322 -0.046733 -0.008255 0.123381 0.068298 0.076035 -0.022745 0.056668 -0.010448 -0.220528 -0.237384 0.059475 -0.360154 0.079924 0.001970 0.055266 0.025622 0.126861 -0.137599 -0.032596 -0.006535 -0.042749 0.268596 0.152740 0.508085 -0.010772 -0.236663 0.255929 0.013503 0.055667 0.105964 0.107573 -0.082287 -0.880867 0.023635 -0.084800 -0.122177 0.035075 0.014141 0.037514 0.000999 0.011649 -0.096647 -0.385656 -0.075522 0.254460 0.044378 -0.008192 0.042972 -0.041279 -0.011279 0.152425 -0.008623 0.165558 -0.133369 -0.072631 0.001804 0.005295 0.071318 0.114523 -0.032705 0.050912 -0.082648 -0.031956 -0.209215 -0.012465 -0.027061 -0.092752 -0.010390 -0.047301 -0.003944 0.006381 -0.105289 -0.210866 0.086207 0.045925 -0.068661 0.036346 -0.278480 -0.014353 0.015206 0.095912 0.119983 0.078261 -0.249673 0.373225 0.291515 -0.316783 -0.058510 -0.190668 -0.116952 0.487281 0.136077 -0.408381 0.054235 0.282098 -0.149385 0.208647 0.029784 -0.326006 -0.118117 -0.008350 0.064606 -0.048577 0.008961 0.089962 -0.169310 -0.264340 -0.065616 0.167587 0.100809 -0.494398 0.581317 0.018743 -1.434249 -0.302072 -0.500720 0.367573 0.088934 -0.117372 -0.087782 -0.428602 -0.587809 -0.057322 -0.090879 0.356793 0.129246 -0.064491 -0.239874 -0.038124 0.105520 0.088339 -0.129579 0.082957 -0.091009 0.061290 0.177233 -0.049067 -0.371839 -0.116586 -0.065752 0.261228 0.048346 -0.102870 0.032991 -0.795951 -0.258183 -0.301494 -0.102869 0.193969 0.087327 -0.480167 -0.213338 0.422326 0.190258 -0.317784 -0.098871 0.003742 -0.026888 -0.050357 0.069915 -0.006095 -0.131925 -0.000526 -0.042565 0.310734 -0.019409 0.285463 -0.294349 0.014895 -0.034754 -0.064768 0.014345 0.254931 0.381575 0.782550 0.491098 -0.509459 0.099541 0.074228 0.126744 0.359124 0.602487 0.903568 -0.147344 -0.326808 -0.007931 0.086090 0.180353 -0.358323 -0.039125 -0.094155 0.092606 0.125605 0.058776 0.122268 -0.089090 0.105742 0.170908 -0.034909 0.042744 -0.354617 0.044148 0.151653 0.321096 -0.126860 -0.027891 0.143675 -0.045193 -0.055359 -0.114222 -0.012197 -0.065521 -0.208168 -0.162090 -0.140428 -0.162025 -0.059149 -0.264718 -0.042265 -0.239148 -0.022572 0.287398 0.010458 0.193601 0.046570 0.096790 -0.070822 0.180169 -0.084772 0.066723 0.276514 0.026220 0.069594 -0.018543 -0.535325 0.177909 -0.133023 0.281452 -0.089432 0.207759 -0.078608 -0.168091 0.501855 -0.097678 -0.136881 0.285861 0.078646 -0.031814 -0.026833 0.057311 -0.001889 -0.208393 -0.217913 0.056514 -0.367565 0.026841 0.022976 0.113345 -0.131002 0.202852 0.033266 0.040518 0.039486 0.015464 0.269296 0.156225 0.508714 0.037249 0.149195 0.216433 0.033113 0.086305 0.123848 0.107761 -0.085776 -0.890380 0.005552 -0.092532 -0.139897 0.013145 0.009977 0.070273 -0.016310 -0.009627 -0.127296 -0.073748 -0.045068 0.213773 0.092129 -0.019615 0.033711 -0.029190 -0.015172 0.167596 -0.005275 0.147535 -0.103083 -0.076085 -0.023165 0.043124 0.070941 0.116465 -0.032087 0.013822 -0.045692 -0.133190 -0.207007 -0.014828 -0.019693 -0.087385 -0.052008 -0.165810 -0.000888 0.007011 -0.048317 -0.321007 0.029840 0.048694 0.021843 0.125501 -0.000163 -0.027283 0.064219 0.055870 0.284548 -0.506965 -0.158826 0.334083 0.286124 -0.309375 -0.071853 -0.084291 0.067568 0.481298 0.121227 -0.387424 0.054229 0.158720 -0.017349 0.209324 0.027744 -0.329745 -0.015841 -0.012420 -0.021212 -0.009377 -0.018058 0.093916 -0.170462 -0.267298 -0.066970 0.057651 -0.011672 -0.475068 0.147761 -0.184644 1.006845 -0.253130 -0.494894 0.321576 0.152881 -0.208781 -0.243998 -0.426924 -0.580365 -0.102657 -0.095368 0.276647 0.123927 -0.066023 -0.243469 -0.033562 -0.002710 -0.032638 -0.103340 0.097218 -0.238934 -0.008937 0.179921 -0.044292 -0.378243 -0.007955 0.094404 0.180322 0.326199 -0.091876 0.027515 -0.791431 -0.252185 -0.314478 -0.101667 0.106391 0.182880 -0.451168 -0.184085 0.370758 0.017851 -0.178365 -0.092431 -0.003046 -0.025063 -0.050853 -0.063978 -0.008326 -0.056000 -0.071860 0.009992 0.226621 -0.019934 0.289609 -0.289355 0.093874 0.060568 -0.066287 -0.031644 0.443571 0.354385 0.777802 0.486732 -0.498712 0.105577 0.088200 -0.046665 0.342610 0.593059 0.931287 0.016680 -0.256122 -0.170137 0.091484 0.182687 -0.368556 0.123834 0.056924 -0.027147 0.166503 0.217570 -0.015605 -0.090451 0.100341 0.188685 -0.120181 -0.107425 -0.286721 0.154699 0.188635 0.210412 -0.129825 -0.025178 0.239900 -0.044801 -0.053361 -0.114815 -0.010920 -0.064348 -0.217870 -0.144184 -0.127272 -0.142515 -0.060682 -0.236765 -0.018408 -0.239525 -0.022569 0.287617 0.005921 0.177738 0.035214 0.098062 -0.070685 0.181234 -0.085715 0.066604 0.276430 0.027646 0.070173 -0.020130 -0.504213 0.162592 -0.082615 0.255954 -0.089326 0.215073 -0.079456 -0.168344 0.502091 -0.079304 -0.127010 0.261805 0.072565 -0.043381 -0.040838 0.060191 -0.000260 -0.219020 -0.215496 0.058210 -0.367497 0.014073 0.022210 0.093800 -0.123244 0.185025 0.041896 0.040620 0.035699 0.018957 0.269429 0.157717 0.508733 0.040388 0.179796 0.205160 0.030611 0.081916 0.106780 0.107620 -0.087218 -0.890736 0.002284 -0.094280 -0.148328 0.010546 0.009605 0.072915 -0.012081 0.000544 -0.103033 -0.034438 -0.038843 0.202924 0.083147 -0.021824 0.034079 -0.023518 -0.014138 0.170142 -0.007251 0.146926 -0.099831 -0.070164 -0.018833 0.045638 0.071389 0.116885 -0.031194 0.013075 -0.030987 -0.134013 -0.206782 -0.015094 -0.017857 -0.076397 -0.047721 -0.160406 -0.000236 0.004932 -0.046696 -0.286382 0.012982 0.057272 0.009972 0.109575 -0.002618 -0.030723 0.057731 0.052776 0.260287 -0.472481 -0.133916 0.323507 0.284236 -0.312138 -0.060061 -0.060422 0.077494 0.478285 0.118229 -0.390822 0.054424 0.153326 -0.001746 0.209379 0.027607 -0.329727 -0.004860 -0.014391 -0.026349 -0.002938 -0.016305 0.091694 -0.170867 -0.267945 -0.067666 0.036527 -0.025839 -0.409125 0.141444 -0.187743 0.863599 -0.238634 -0.493858 0.315932 0.131379 -0.193674 -0.227143 -0.424975 -0.576181 -0.106928 -0.087746 0.251467 0.103169 -0.066340 -0.244442 -0.031429 -0.011587 -0.045204 -0.091255 0.097002 -0.220958 -0.018023 0.180741 -0.044004 -0.382567 0.004605 0.095619 0.156539 0.265977 -0.087557 0.015863 -0.788212 -0.250017 -0.313665 -0.103038 0.089723 0.178169 -0.445390 -0.177382 0.360654 0.004708 -0.165893 -0.068547 -0.004084 -0.024859 -0.050929 -0.069155 -0.004464 -0.036236 -0.057862 0.015932 0.203247 -0.019910 0.290501 -0.289228 0.092032 0.061405 -0.064090 -0.037525 0.377914 0.322517 0.775440 0.486455 -0.496673 0.105984 0.077583 -0.051257 0.338905 0.589300 0.931568 0.029246 -0.236980 -0.165695 0.092411 0.183310 -0.369503 0.127584 0.071703 -0.024941 0.158893 0.214592 -0.038294 -0.090639 0.100128 0.195000 -0.120567 -0.110037 -0.270699 0.147476 0.172179 0.201127 -0.144651 -0.016710 0.520599 -0.043064 -0.047142 -0.116633 -0.006831 -0.060708 -0.248667 -0.084198 -0.084704 -0.081941 -0.075270 -0.163473 0.052192 -0.240014 -0.022423 0.288248 -0.003192 0.126479 0.002048 0.102274 -0.069949 0.184701 -0.088100 0.066728 0.276069 0.033455 0.073825 -0.026001 -0.410537 0.119266 0.072278 0.182546 -0.089176 0.236614 -0.081831 -0.168511 0.503649 -0.025461 -0.095948 0.190695 0.054194 -0.075331 -0.082646 0.068832 0.004527 -0.258087 -0.207462 0.063755 -0.367779 -0.022452 0.020084 0.035968 -0.098008 0.134590 0.068794 0.040577 0.025209 0.026650 0.270205 0.162659 0.508503 0.049329 0.280323 0.174452 0.024185 0.069333 0.055729 0.107568 -0.091216 -0.891917 -0.006288 -0.099178 -0.173256 0.003034 0.009371 0.080551 -0.000576 0.030805 -0.034194 0.086097 -0.022205 0.174896 0.055298 -0.027912 0.034536 -0.005389 -0.010602 0.176291 -0.012421 0.145428 -0.091259 -0.051878 -0.005360 0.053606 0.073216 0.118525 -0.028761 0.011338 0.009095 -0.138082 -0.205506 -0.015364 -0.012405 -0.041636 -0.034644 -0.144270 0.002416 -0.000884 -0.042151 -0.186566 -0.031917 0.083110 -0.024501 0.059744 -0.013477 -0.041608 0.038562 0.045140 0.186536 -0.376423 -0.059216 0.290348 0.279049 -0.320573 -0.029798 0.009415 0.103154 0.468796 0.110069 -0.400943 0.048177 0.133184 0.042325 0.209707 0.027661 -0.329649 0.019812 -0.024011 -0.046019 0.014514 -0.004634 0.079915 -0.171721 -0.269194 -0.069739 -0.013662 -0.056846 -0.208587 0.124697 -0.219919 0.451305 -0.192566 -0.489753 0.298038 0.061162 -0.143097 -0.169445 -0.417737 -0.563425 -0.119604 -0.064710 0.170875 0.051860 -0.066584 -0.246546 -0.025624 -0.037582 -0.079068 -0.062284 0.097485 -0.169441 -0.044817 0.183799 -0.042647 -0.395004 0.039919 0.102203 0.078903 0.080700 -0.076852 -0.017629 -0.777974 -0.243034 -0.312076 -0.107405 0.043868 0.158578 -0.425692 -0.157118 0.329589 -0.032283 -0.120565 -0.005997 -0.006799 -0.023973 -0.050972 -0.083450 0.008095 0.019406 -0.020452 0.034375 0.135673 -0.019694 0.293439 -0.289223 0.094069 0.064376 -0.055498 -0.046892 0.177660 0.234279 0.768249 0.485176 -0.499967 0.107063 0.045889 -0.055075 0.326414 0.578554 0.932045 0.064710 -0.184928 -0.143015 0.095807 0.185159 -0.371627 0.139895 0.111974 -0.024438 0.126811 0.205264 -0.105801 -0.090514 0.099944 0.214145 -0.121904 -0.118904 -0.215171 0.121622 0.119203 0.174981 -0.200602 -0.001958 1.034123 -0.040617 -0.034772 -0.124236 -0.002123 -0.055488 -0.321618 0.028607 0.010484 0.038231 -0.107146 0.007086 0.202651 -0.240922 -0.024764 0.289009 -0.035550 0.012968 -0.060019 0.109875 -0.069784 0.191967 -0.093799 0.065776 0.274869 0.050127 0.069645 -0.034535 -0.230285 0.025321 0.390238 0.033208 -0.092610 0.279926 -0.088623 -0.171218 0.504880 0.094590 -0.032768 0.043827 0.015075 -0.140630 -0.168397 0.083895 0.012433 -0.371545 -0.191558 0.073722 -0.370942 -0.101907 0.015989 -0.088567 -0.049216 0.035524 0.119903 0.040390 0.004725 0.039028 0.270575 0.171873 0.507076 0.066662 0.519729 0.125806 0.008521 0.046192 -0.040248 0.106511 -0.100727 -0.894950 -0.020820 -0.109651 -0.221681 -0.014103 0.006582 0.094012 0.016384 0.088102 0.088497 0.342955 0.013278 0.124072 0.002045 -0.038103 0.033112 0.032213 -0.004238 0.177176 -0.024471 0.140985 -0.079553 -0.015200 0.019340 0.066593 0.076178 0.120748 -0.024261 0.009339 0.092114 -0.146372 -0.203134 -0.016406 -0.001828 0.023925 -0.008644 -0.115546 0.007878 -0.013715 -0.034706 0.020338 -0.119840 0.134340 -0.096775 -0.047445 -0.042293 -0.063883 0.001543 0.023200 0.042908 -0.209783 0.098872 0.224950 0.268817 -0.337518 0.022105 0.157775 0.145673 0.449043 0.095855 -0.419690 0.035413 0.081213 0.117147 0.209025 0.025867 -0.330029 0.073163 -0.038024 -0.082962 0.050551 0.019024 0.059680 -0.174196 -0.272542 -0.074405 -0.116405 -0.112389 0.237312 0.121182 -0.243708 -0.287810 -0.100248 -0.484463 0.261538 -0.058392 -0.037773 -0.073328 -0.404214 -0.541985 -0.145331 -0.013519 -0.008060 -0.060090 -0.067369 -0.252926 -0.014184 -0.085705 -0.138018 -0.009201 0.104501 -0.062443 -0.100920 0.188976 -0.041954 -0.422579 0.115630 0.120357 -0.072169 -0.296516 -0.053174 -0.096228 -0.759688 -0.231047 -0.311516 -0.112195 -0.050944 0.120729 -0.395350 -0.121369 0.267368 -0.098157 -0.030623 0.105751 -0.012756 -0.022698 -0.051043 -0.117772 0.029621 0.130898 0.053216 0.055083 0.009282 -0.019845 0.298114 -0.293622 0.088901 0.066216 -0.024230 -0.044759 -0.217757 0.079773 0.754441 0.484083 -0.496052 0.110788 -0.017917 -0.064932 0.308906 0.559214 0.933438 0.128352 -0.081419 -0.098088 0.101401 0.188918 -0.379475 0.165816 0.190705 -0.018141 0.059868 0.185873 -0.236196 -0.091394 0.099628 0.251548 -0.121193 -0.138116 -0.097234 0.061981 0.011372 0.136722 0.146385 0.059795 -0.557715 -0.035232 -0.049377 -0.128086 -0.011603 -0.064256 -0.353690 0.029574 0.033024 0.071660 -0.077034 0.060938 0.189392 -0.240710 -0.027363 0.288617 -0.024321 -0.019290 -0.058873 0.111214 -0.070562 0.193483 -0.095999 0.065684 0.272397 0.039444 0.046274 -0.006395 -0.097720 -0.009307 0.336355 -0.035635 -0.070805 0.206126 -0.090998 -0.171636 0.511897 0.097373 -0.006282 -0.019839 0.012592 -0.087624 -0.128101 0.085974 0.007781 -0.412850 -0.200397 0.083877 -0.367085 -0.069921 0.008465 -0.095075 -0.012831 -0.013917 0.087222 0.010864 -0.007736 0.034105 0.269904 0.173224 0.507091 0.064219 0.382687 0.099090 -0.001731 0.036674 -0.046740 0.105058 -0.103125 -0.891802 -0.016152 -0.108561 -0.228609 -0.005113 0.022262 0.091374 0.023039 0.087073 0.114434 0.276224 0.016627 0.099105 -0.005553 -0.025592 0.032429 0.024628 0.000506 0.152295 -0.027800 0.144587 -0.079135 0.004234 0.020214 0.049612 0.077239 0.121365 -0.026493 0.007495 0.069665 -0.096612 -0.202205 -0.015704 -0.004794 0.016316 0.005894 -0.061560 0.005855 -0.024890 -0.047749 0.109038 -0.104619 0.140287 -0.088257 -0.049037 -0.023625 -0.045078 -0.019549 0.028688 -0.007708 -0.103524 0.118783 0.218633 0.270450 -0.343768 0.011205 0.167435 0.114302 0.440857 0.107576 -0.435961 0.014589 0.029517 0.101954 0.208482 0.026517 -0.329114 0.071071 -0.031768 -0.060453 0.038171 0.052363 0.053621 -0.174715 -0.272331 -0.073798 -0.115725 -0.092668 0.259052 -0.271154 -0.278041 1.293211 -0.091522 -0.480367 0.266789 -0.072059 0.008372 0.017935 -0.399980 -0.535270 -0.143223 0.010698 -0.058200 -0.070184 -0.067078 -0.252169 -0.011691 -0.068204 -0.082488 0.000775 0.083254 -0.021921 -0.080120 0.189397 -0.043663 -0.427711 0.101902 0.078497 -0.106547 -0.265305 -0.040231 -0.094366 -0.751393 -0.230542 -0.306276 -0.108203 -0.059686 0.084188 -0.393530 -0.136777 0.263484 -0.088995 0.010807 0.102492 -0.010782 -0.024184 -0.050803 -0.076299 0.030200 0.125352 0.054750 0.007067 -0.007490 -0.020135 0.297862 -0.294635 0.057867 0.044219 0.002166 -0.040468 -0.177873 0.030656 0.747471 0.483700 -0.513616 0.111028 -0.030250 0.010971 0.305191 0.551557 0.925420 0.136286 -0.030496 -0.025890 0.100106 0.187068 -0.380459 0.104003 0.119300 -0.014374 0.029713 0.122945 -0.205679 -0.091111 0.101598 0.265806 -0.083628 -0.090214 -0.068658 0.030942 -0.021772 0.137028 0.220728 0.068609 -0.880926 -0.034235 -0.045179 -0.135521 -0.010776 -0.066372 -0.365042 0.030901 0.038197 0.080687 -0.064628 0.077771 0.186487 -0.241114 -0.028253 0.288886 -0.022433 -0.019864 -0.050859 0.111611 -0.070771 0.193995 -0.097131 0.065953 0.272215 0.037390 0.044277 0.007623 -0.058743 -0.018204 0.324032 -0.052640 -0.065207 0.194683 -0.091860 -0.173098 0.508132 0.097610 -0.010092 -0.020902 -0.004956 -0.080874 -0.118057 0.086064 0.007547 -0.423996 -0.202588 0.084980 -0.365971 -0.060859 0.008144 -0.097781 0.004431 -0.034481 0.078992 0.019039 -0.002728 0.032326 0.269967 0.174647 0.507084 0.062190 0.353027 0.093135 0.001366 0.034385 -0.045003 0.105008 -0.103955 -0.891727 -0.019264 -0.108165 -0.234296 -0.003151 0.021509 0.085976 0.019724 0.086225 0.123332 0.278343 0.015857 0.095201 -0.008119 -0.023317 0.033654 0.024250 0.001184 0.141033 -0.028407 0.146321 -0.078842 0.016100 0.017685 0.045868 0.077898 0.122196 -0.026684 -0.001851 0.066735 -0.084276 -0.201916 -0.015325 -0.005134 0.013613 0.010179 -0.048180 0.005453 -0.026877 -0.051354 0.130163 -0.100752 0.142077 -0.087698 -0.049639 -0.016527 -0.040221 -0.024583 0.031876 -0.022799 -0.080876 0.122327 0.223256 0.270802 -0.345234 0.010541 0.162464 0.105207 0.438771 0.112490 -0.439975 0.010121 0.018101 0.095699 0.208138 0.026628 -0.328781 0.070174 -0.032739 -0.057472 0.036255 0.036145 0.048922 -0.174877 -0.272379 -0.073605 -0.115607 -0.086905 0.264893 -0.343221 -0.279660 1.613837 -0.095677 -0.479943 0.268523 -0.077815 0.019310 0.035594 -0.398949 -0.533755 -0.142638 0.016411 -0.068172 -0.073527 -0.067101 -0.252464 -0.010463 -0.068231 -0.131607 0.001867 0.078183 -0.012674 -0.076723 0.189172 -0.045511 -0.431232 0.097291 0.069955 -0.110895 -0.296942 -0.031674 -0.093047 -0.749101 -0.230547 -0.304783 -0.109507 -0.056024 0.072209 -0.395658 -0.142200 0.261748 -0.085612 0.021545 0.100413 -0.009531 -0.024359 -0.050233 -0.066874 0.032702 0.121723 0.058142 0.019315 -0.007528 -0.020033 0.297971 -0.296366 0.061251 0.039906 0.006806 -0.034474 -0.171563 0.019191 0.746821 0.483112 -0.494166 0.114293 -0.031681 0.004571 0.306491 0.550190 0.923597 0.135956 -0.023968 -0.008561 0.098716 0.186716 -0.382377 0.089432 0.159830 -0.011437 0.024308 0.109200 -0.200767 -0.090848 0.102991 0.268228 -0.086905 -0.079932 -0.059519 0.016777 -0.028431 0.137763 0.187047 0.063323 -0.648703 -0.030465 -0.056117 -0.139099 -0.017304 -0.072784 -0.384931 0.021532 0.042350 0.088834 -0.043476 0.094100 0.162675 -0.240700 -0.030020 0.288904 -0.010084 -0.033058 -0.045348 0.112434 -0.071146 0.194907 -0.098301 0.066427 0.271020 0.026572 0.027267 0.026978 -0.016181 -0.032774 0.270170 -0.084118 -0.046745 0.141696 -0.093061 -0.173893 0.511954 0.090738 -0.001611 -0.050384 -0.007178 -0.038655 -0.080749 0.086587 0.004506 -0.441144 -0.209846 0.091740 -0.362424 -0.031354 0.005853 -0.088838 0.024404 -0.054525 0.056137 0.005340 -0.008266 0.027933 0.269729 0.175474 0.507345 0.058028 0.243465 0.083203 -0.002340 0.030010 -0.037382 0.104422 -0.104883 -0.889480 -0.015315 -0.105963 -0.235544 0.004836 0.033049 0.083116 0.021584 0.079568 0.130302 0.208784 0.016147 0.077921 -0.009175 -0.012023 0.033549 0.014520 0.004063 0.121126 -0.029087 0.149724 -0.079768 0.028178 0.016523 0.032826 0.078896 0.123237 -0.028553 -0.004775 0.044784 -0.052084 -0.200782 -0.014351 -0.007890 0.002723 0.017516 -0.015724 0.003767 -0.033535 -0.060378 0.167761 -0.081521 0.142215 -0.074580 -0.040589 0.001740 -0.025036 -0.033872 0.037710 -0.045864 -0.030061 0.127089 0.226354 0.273306 -0.347823 0.004967 0.151480 0.087136 0.434724 0.124010 -0.449746 -0.006224 -0.012722 0.089824 0.207809 0.027349 -0.327569 0.066275 -0.027940 -0.037256 0.019914 0.058374 0.044279 -0.174660 -0.271614 -0.072232 -0.106420 -0.067581 0.238708 -0.303652 -0.241773 1.363594 -0.099320 -0.477465 0.275877 -0.087476 0.043485 0.088463 -0.396723 -0.530556 -0.139082 0.031236 -0.091218 -0.070595 -0.066202 -0.251100 -0.009318 -0.055207 -0.090579 0.006577 0.061801 0.012321 -0.060011 0.189239 -0.047043 -0.432558 0.078027 0.040303 -0.116610 -0.223956 -0.020555 -0.082523 -0.744558 -0.231162 -0.299717 -0.101938 -0.056746 0.045588 -0.399765 -0.157560 0.263603 -0.074735 0.035207 0.097131 -0.006941 -0.025014 -0.049364 -0.035953 0.030208 0.104295 0.050152 -0.018315 -0.010726 -0.019946 0.297644 -0.297554 0.038089 0.021682 0.024958 -0.028998 -0.114821 -0.007190 0.743626 0.483274 -0.500216 0.113853 -0.033500 0.047509 0.308708 0.546806 0.918689 0.131376 0.003712 0.034334 0.097018 0.185407 -0.384497 0.048256 0.107534 -0.005912 0.002180 0.058349 -0.166940 -0.090194 0.105224 0.276367 -0.060467 -0.049476 -0.047900 0.000869 -0.041667 0.137480 0.051517 0.057244 0.151751 -0.016267 -0.103125 -0.128746 -0.040775 -0.092350 -0.445701 0.002159 0.080349 0.133503 -0.029332 0.099251 0.099144 -0.237692 -0.038673 0.291908 0.018073 -0.097917 -0.014356 0.112529 -0.075039 0.197435 -0.105682 0.070623 0.271655 0.000107 -0.035896 0.037113 0.032417 -0.062523 0.139799 -0.171556 0.000212 0.003907 -0.089569 -0.186834 0.537619 0.059875 0.044884 -0.168337 0.020133 0.107688 0.054494 0.096339 0.000525 -0.485819 -0.237394 0.107343 -0.334019 0.059897 -0.002741 -0.061783 0.052105 -0.034768 -0.013184 -0.086877 -0.042112 0.022707 0.270838 0.182160 0.514345 0.044774 -0.137161 0.075071 -0.012398 0.016375 -0.006825 0.106384 -0.108311 -0.882032 0.008232 -0.100081 -0.224671 0.029289 0.073318 0.104604 0.029323 0.055487 0.158698 -0.217926 -0.006284 -0.000747 0.006339 0.047529 0.050494 -0.015895 0.009030 0.088269 -0.028383 0.164574 -0.070527 0.052845 0.022872 0.008163 0.089592 0.130872 -0.026747 0.008688 -0.029912 0.059503 -0.192875 -0.010286 -0.012572 -0.026575 0.043043 0.113499 -0.001726 -0.054215 -0.079968 0.277537 -0.022018 0.150560 -0.040689 -0.002932 0.086549 0.016093 -0.069318 0.074940 -0.100539 0.099866 0.152034 0.274224 0.283947 -0.356904 -0.027189 0.006509 -0.033145 0.422140 0.159702 -0.480363 -0.042883 -0.106764 0.025530 0.206486 0.029625 -0.318020 0.056484 -0.000330 0.007377 0.008103 0.350624 0.044544 -0.170294 -0.270314 -0.061089 -0.073482 -0.006787 0.150784 -0.248217 -0.131300 0.491796 -0.148309 -0.480375 0.299866 -0.090209 0.108874 0.209147 -0.386595 -0.521469 -0.127067 0.081011 -0.141701 -0.079777 -0.058120 -0.244910 -0.000660 -0.002545 0.225797 -0.006170 -0.015237 0.080788 -0.031827 0.187782 -0.076107 -0.450694 0.017320 -0.047459 -0.116296 0.350480 -0.017447 -0.092855 -0.729179 -0.234954 -0.279866 -0.091445 0.044734 -0.044270 -0.431654 -0.209337 0.263723 -0.006112 0.074640 0.050550 0.022389 -0.027158 -0.037100 0.054725 0.016922 -0.012237 -0.000113 -0.317242 0.010373 -0.016671 0.296377 -0.300353 -0.075021 -0.030363 0.079133 -0.038628 0.050890 -0.112322 0.729568 0.494406 -0.539535 0.108981 -0.038739 0.189506 0.340832 0.534073 0.903107 0.092149 0.065133 0.136841 0.073202 0.181947 -0.398975 -0.080047 -0.228903 0.024810 -0.060494 -0.076621 -0.074960 -0.087108 0.130090 0.293369 0.075797 0.048252 0.030672 -0.015058 -0.075800 0.121627 0.037234 0.062128 0.151865 -0.017848 -0.084272 -0.158323 -0.039182 -0.095458 -0.460028 -0.010110 0.061325 0.114256 0.043150 0.156892 0.084788 -0.239840 -0.035334 0.288353 0.028014 -0.074394 -0.011569 0.114084 -0.072896 0.199748 -0.103661 0.067817 0.267708 -0.009306 -0.022373 0.102097 0.144594 -0.079609 0.106738 -0.189146 0.018626 -0.016941 -0.097469 -0.176906 0.518678 0.059772 0.018805 -0.132516 -0.027839 0.091429 0.041140 0.086946 -0.006540 -0.500473 -0.235754 0.111854 -0.351379 0.064624 -0.004378 -0.059678 0.108092 -0.137587 -0.019464 -0.033012 -0.015035 0.009806 0.268255 0.179393 0.507498 0.030885 -0.102962 0.054485 -0.010594 0.018996 -0.010604 0.101831 -0.108935 -0.882969 -0.003381 -0.099106 -0.240853 0.031738 0.065340 0.066839 0.018867 0.058094 0.157064 0.022687 0.018698 0.026121 -0.014250 0.025392 0.036270 -0.009966 0.015920 0.034782 -0.031983 0.161056 -0.083146 0.078256 0.005396 -0.008677 0.082289 0.126364 -0.034962 -0.022086 -0.024960 0.052118 -0.197629 -0.011729 -0.018341 -0.035067 0.040482 0.100172 -0.003073 -0.054911 -0.091489 0.294826 -0.011075 0.139493 -0.029047 -0.005230 0.068712 0.020265 -0.067800 0.058762 -0.129238 0.130372 0.137586 0.243006 0.281489 -0.359161 -0.018608 0.110950 0.024367 0.420502 0.157261 -0.486135 -0.054455 -0.119474 0.062924 0.206325 0.028631 -0.324408 0.053957 -0.012041 0.022573 -0.026718 0.093307 0.025967 -0.174709 -0.269731 -0.067814 -0.070426 -0.000941 0.149906 -0.111851 -0.126875 0.504192 -0.118689 -0.469130 0.300525 -0.108857 0.119245 0.243744 -0.389457 -0.520087 -0.127677 0.080961 -0.157221 -0.058132 -0.064355 -0.247861 -0.005108 -0.008204 -0.027866 0.020078 0.004527 0.080286 -0.007220 0.188839 -0.053811 -0.440937 0.012480 -0.059217 -0.137586 -0.073595 0.011512 -0.042392 -0.731707 -0.233869 -0.287584 -0.089020 -0.045873 -0.043049 -0.412750 -0.204628 0.267755 -0.033031 0.079656 0.079536 0.002059 -0.026743 -0.046924 0.057734 0.028400 0.039548 0.036395 -0.107613 -0.017277 -0.020871 0.296308 -0.301073 -0.016988 -0.033784 0.087416 0.004116 0.037848 -0.093578 0.735112 0.481859 -0.498977 0.105086 -0.040414 0.165467 0.314080 0.534948 0.900811 0.121434 0.088510 0.173813 0.089922 0.181043 -0.389589 -0.101481 0.004564 0.014645 -0.070247 -0.099298 -0.056272 -0.087755 0.113031 0.302194 0.012307 0.062073 0.013890 -0.051996 -0.077332 0.147878 0.002144 0.065870 0.313221 -0.015200 -0.091567 -0.160133 -0.045029 -0.100218 -0.475013 -0.015373 0.066274 0.119206 0.060027 0.167016 0.065204 -0.239267 -0.036459 0.288309 0.037112 -0.085076 -0.005355 0.114312 -0.073183 0.201008 -0.105091 0.068094 0.267844 -0.016558 -0.032776 0.113858 0.173795 -0.088163 0.076505 -0.208629 0.032151 -0.050354 -0.098519 -0.177456 0.521753 0.053427 0.024910 -0.154318 -0.023656 0.116943 0.062349 0.087611 -0.007969 -0.511334 -0.241005 0.114533 -0.353102 0.084002 -0.006712 -0.054659 0.116003 -0.150636 -0.033058 -0.045932 -0.016876 0.005618 0.267766 0.181228 0.508039 0.026300 -0.170014 0.050941 -0.015044 0.018008 -0.005804 0.100830 -0.109698 -0.880284 0.000717 -0.098039 -0.240599 0.037399 0.072065 0.065111 0.020684 0.054405 0.161421 -0.016195 0.017244 0.017330 -0.013873 0.033586 0.037248 -0.014107 0.018999 0.017940 -0.032656 0.164134 -0.082675 0.084426 0.004259 -0.016969 0.083411 0.126941 -0.035306 -0.023263 -0.038794 0.073080 -0.196820 -0.011106 -0.019706 -0.043594 0.043338 0.118630 -0.004679 -0.058320 -0.097096 0.319284 0.004144 0.139533 -0.019068 0.004083 0.083617 0.028325 -0.071664 0.060452 -0.139411 0.159649 0.138468 0.252545 0.282406 -0.362387 -0.022774 0.108144 0.012626 0.418010 0.164288 -0.493860 -0.064032 -0.142157 0.058313 0.206140 0.028932 -0.323739 0.051664 -0.008766 0.034457 -0.037437 0.106107 0.023356 -0.175012 -0.269241 -0.066916 -0.065052 0.010276 0.130608 -0.075484 -0.112591 0.346872 -0.128692 -0.468635 0.304473 -0.112875 0.130733 0.270470 -0.388347 -0.519022 -0.125562 0.090715 -0.170453 -0.055325 -0.064176 -0.246840 -0.004198 0.001914 0.003527 0.017132 -0.004620 0.095764 0.002776 0.188932 -0.055033 -0.445136 0.003064 -0.075701 -0.137372 -0.035172 0.015551 -0.038261 -0.730778 -0.234308 -0.285492 -0.086356 -0.050016 -0.055388 -0.419733 -0.213410 0.268761 -0.020833 0.086085 0.079354 0.003233 -0.027002 -0.046616 0.073953 0.028004 0.044543 0.034669 -0.133283 -0.030217 -0.021169 0.295989 -0.302548 -0.028673 -0.042810 0.098892 0.005998 0.066961 -0.107427 0.734365 0.482853 -0.506223 0.105171 -0.041658 0.196698 0.319977 0.533736 0.898426 0.112689 0.101598 0.199586 0.089051 0.180214 -0.390895 -0.131063 -0.035269 0.017643 -0.083234 -0.124983 -0.040865 -0.087033 0.113581 0.306649 0.027173 0.082560 0.025301 -0.061327 -0.079277 0.150572 -0.022507 0.063991 0.426953 -0.015728 -0.095618 -0.161835 -0.046081 -0.098168 -0.478571 -0.017959 0.037496 0.092461 0.059050 0.122746 0.056879 -0.239225 -0.036500 0.288641 0.034812 -0.065358 0.004809 0.115237 -0.073261 0.202328 -0.104096 0.068184 0.268650 -0.023683 -0.028285 0.105318 0.119687 -0.069856 0.073661 -0.164749 0.023829 -0.044062 -0.099037 -0.177393 0.522107 0.040957 0.018108 -0.120615 -0.028265 0.103496 0.072266 0.084229 -0.009236 -0.498843 -0.239721 0.115359 -0.347855 0.066396 -0.006767 -0.027236 0.102525 -0.123674 -0.018702 -0.029104 -0.016377 0.006937 0.267714 0.180189 0.508039 0.023586 -0.137721 0.054039 -0.008659 0.017001 0.017454 0.101127 -0.109783 -0.882251 0.001108 -0.096488 -0.235432 0.036941 0.076385 0.065511 0.017671 0.042773 0.141846 -0.009356 0.014510 0.016373 -0.005158 0.035378 0.033290 -0.015652 0.019057 0.012743 -0.029622 0.160943 -0.087718 0.079020 0.003420 -0.012657 0.082441 0.127083 -0.036954 -0.028038 -0.037991 0.076413 -0.196452 -0.011058 -0.020936 -0.036818 0.036420 0.114008 -0.004533 -0.058671 -0.091216 0.258702 0.013622 0.127121 -0.004110 0.005445 0.093872 0.030255 -0.058777 0.055042 -0.116614 0.126817 0.126704 0.248280 0.285357 -0.359524 -0.023584 0.084877 0.016375 0.419570 0.163110 -0.493636 -0.060021 -0.138439 0.058384 0.205676 0.028695 -0.324243 0.043372 -0.005811 0.037675 -0.043055 0.087043 0.025121 -0.174611 -0.269152 -0.066592 -0.049349 0.013522 0.103029 -0.023492 -0.105654 0.186784 -0.128372 -0.465851 0.306207 -0.100195 0.114030 0.229962 -0.388750 -0.519445 -0.126201 0.080406 -0.151437 -0.039027 -0.063496 -0.246140 -0.005108 -0.000185 0.008103 0.023529 -0.006680 0.081599 0.009470 0.188719 -0.054643 -0.439510 -0.007661 -0.063515 -0.120098 -0.002372 0.020904 -0.018603 -0.729178 -0.236029 -0.283699 -0.081239 -0.043534 -0.039493 -0.415956 -0.214182 0.270945 -0.032995 0.095430 0.076082 0.003556 -0.026848 -0.046423 0.067608 0.023526 0.013373 0.037234 -0.116759 -0.006225 -0.021947 0.296084 -0.302949 -0.024533 -0.038445 0.099144 0.004322 0.065931 -0.097621 0.733346 0.480688 -0.508188 0.094033 -0.036797 0.172617 0.315855 0.533776 0.901876 0.104606 0.109729 0.168191 0.088983 0.179287 -0.391390 -0.110331 -0.037215 0.016263 -0.090371 -0.128331 -0.018174 -0.086503 0.114115 0.310743 0.028485 0.073055 0.024358 -0.035468 -0.061902 0.137995 -0.097699 0.064471 0.757756 -0.017313 -0.107189 -0.167008 -0.051762 -0.092647 -0.491216 -0.029491 -0.036482 0.008407 0.054502 -0.003922 0.020654 -0.238661 -0.037395 0.289647 0.034675 -0.006179 0.031774 0.117554 -0.073736 0.206736 -0.102993 0.068502 0.273064 -0.043546 -0.015296 0.073890 -0.044023 -0.009966 0.064519 -0.035550 -0.005863 -0.027790 -0.101775 -0.178635 0.523737 -0.001708 -0.004440 -0.013456 -0.033770 0.061935 0.102147 0.074719 -0.010353 -0.461781 -0.236330 0.112931 -0.342474 0.019524 -0.005783 0.048414 0.043589 -0.041331 0.025359 0.017547 -0.011038 0.007282 0.267116 0.180685 0.509079 0.017825 -0.040771 0.074256 0.007097 0.012900 0.087424 0.100635 -0.110479 -0.885650 0.003651 -0.092901 -0.221850 0.036067 0.087068 0.066215 0.010328 0.009151 0.084006 0.005484 0.004971 0.018369 0.025748 0.044989 0.025327 -0.020466 0.018294 -0.003840 -0.020473 0.154498 -0.100959 0.054160 0.000403 -0.002671 0.080842 0.128128 -0.039664 -0.044600 -0.033333 0.084380 -0.194808 -0.010734 -0.022787 -0.018421 0.009174 0.094133 -0.005012 -0.056902 -0.073226 0.076470 0.044469 0.080465 0.041333 0.013018 0.125757 0.034523 -0.015388 0.039807 -0.034524 0.021104 0.084328 0.257239 0.291156 -0.354487 -0.025364 0.024686 0.025648 0.424475 0.163853 -0.494513 -0.042701 -0.121358 0.055042 0.203953 0.027849 -0.326113 0.023342 -0.004425 0.043765 -0.052167 0.036144 0.034984 -0.174354 -0.269082 -0.066273 -0.005777 0.024277 0.017993 0.108688 -0.105779 -0.216127 -0.149775 -0.461243 0.307803 -0.059233 0.046109 0.101628 -0.391104 -0.523198 -0.129371 0.051521 -0.094993 0.007875 -0.062112 -0.244055 -0.007487 -0.004945 0.013895 0.040078 -0.001768 0.036909 0.023527 0.187850 -0.054800 -0.431836 -0.033759 -0.025321 -0.051299 0.108410 0.026827 0.032658 -0.727801 -0.240860 -0.280246 -0.067157 -0.031245 0.020750 -0.417877 -0.218075 0.277013 -0.051695 0.125124 0.067706 0.003423 -0.026267 -0.046546 0.036797 0.014533 -0.037410 0.045463 -0.079950 0.037107 -0.023847 0.296279 -0.307881 -0.001036 -0.014945 0.096523 -0.004211 0.068474 -0.063125 0.733341 0.476470 -0.516823 0.068244 -0.022268 0.107532 0.316969 0.536669 0.914805 0.071052 0.121568 0.065971 0.088955 0.176993 -0.396689 -0.040764 -0.033287 0.014897 -0.116304 -0.114914 0.040455 -0.085213 0.113494 0.320673 0.012323 0.036725 0.026162 0.046451 -0.007895 0.093071 -0.264770 0.091459 1.441674 -0.020448 -0.133721 -0.174063 -0.064226 -0.080350 -0.515447 -0.050610 -0.182907 -0.154340 0.044021 -0.263399 -0.044467 -0.237341 -0.039025 0.291233 0.031431 0.098583 0.085668 0.122370 -0.073715 0.214537 -0.100206 0.069483 0.281062 -0.086039 0.002442 0.008353 -0.380189 0.109442 0.051966 0.223913 -0.061765 0.001588 -0.107019 -0.179984 0.529166 -0.085818 -0.040128 0.189919 -0.038272 -0.016851 0.155772 0.055694 -0.012229 -0.391686 -0.229263 0.109485 -0.332835 -0.074206 -0.002647 0.181318 -0.074872 0.124469 0.123609 0.101996 -0.003235 0.003863 0.266021 0.181996 0.510783 0.005680 0.150779 0.120426 0.036124 0.002364 0.219632 0.099753 -0.110673 -0.892248 0.010677 -0.084776 -0.193177 0.034131 0.111185 0.070273 -0.000722 -0.058134 -0.034038 0.032632 -0.017957 0.023796 0.089397 0.067175 0.009639 -0.028452 0.020660 -0.037415 -0.002153 0.141485 -0.128680 0.009630 -0.001868 0.011286 0.077603 0.130397 -0.045519 -0.073124 -0.025017 0.102667 -0.191581 -0.009175 -0.026706 0.019786 -0.042900 0.056884 -0.005587 -0.053380 -0.037402 -0.270870 0.107461 -0.004695 0.137006 0.030537 0.190400 0.045905 0.082043 0.004187 0.128616 -0.181098 0.004017 0.273441 0.302953 -0.344401 -0.031710 -0.083388 0.045731 0.434093 0.163638 -0.494950 -0.016258 -0.102368 0.062374 0.200929 0.026927 -0.329362 -0.009689 0.004205 0.055389 -0.077170 -0.039933 0.046445 -0.174066 -0.267977 -0.065215 0.068813 0.043987 -0.143211 0.365227 -0.134529 -1.051117 -0.189722 -0.452115 0.309884 0.014562 -0.086339 -0.131395 -0.395541 -0.532214 -0.134762 -0.007778 0.014033 0.095677 -0.059315 -0.238979 -0.012002 -0.015582 0.055887 0.069791 0.000582 -0.054517 0.052238 0.186686 -0.054306 -0.416821 -0.081232 0.056236 0.067417 0.365447 0.042536 0.131010 -0.724921 -0.249191 -0.273067 -0.031332 -0.020248 0.126777 -0.422352 -0.222515 0.289688 -0.087449 0.180919 0.053775 0.003166 -0.024663 -0.046654 -0.022515 -0.009206 -0.145204 0.061402 -0.040343 0.128043 -0.028240 0.297239 -0.317006 0.039000 0.032026 0.095112 -0.012709 0.063280 0.010334 0.732428 0.470129 -0.546342 0.021727 0.009823 -0.017950 0.320218 0.544939 0.940453 -0.006952 0.148199 -0.134544 0.089170 0.173079 -0.406962 0.088223 -0.064333 0.009082 -0.162937 -0.091060 0.158863 -0.082188 0.113148 0.340120 -0.008627 -0.032719 0.021514 0.196553 0.101249 0.030253 -0.196522 0.076315 1.167995 -0.019355 -0.123765 -0.171396 -0.059038 -0.085098 -0.506329 -0.044234 -0.125672 -0.088991 0.049489 -0.162947 -0.018195 -0.237871 -0.038614 0.290157 0.032004 0.057073 0.064548 0.120605 -0.073722 0.210681 -0.101280 0.069114 0.277208 -0.070027 -0.004172 0.035247 -0.246759 0.062735 0.054767 0.123172 -0.040558 -0.012381 -0.105207 -0.179275 0.526846 -0.054043 -0.027373 0.108139 -0.034444 0.014017 0.134303 0.063343 -0.011587 -0.419226 -0.231852 0.111068 -0.337603 -0.036742 -0.003822 0.130601 -0.029368 0.059142 0.082943 0.066568 -0.006866 0.005177 0.266350 0.181371 0.509476 0.010752 0.075165 0.100909 0.025171 0.007346 0.168071 0.100193 -0.110582 -0.890366 0.007859 -0.087841 -0.204861 0.034640 0.102010 0.068404 0.003789 -0.031636 0.011574 0.020591 -0.008480 0.021795 0.063930 0.057144 0.014863 -0.026184 0.020026 -0.023281 -0.009430 0.146394 -0.118213 0.025280 -0.001444 0.006637 0.078804 0.129398 -0.043833 -0.061823 -0.027955 0.094581 -0.192917 -0.009726 -0.025740 0.004871 -0.022529 0.069531 -0.005272 -0.054778 -0.052044 -0.136108 0.083017 0.028562 0.099750 0.023214 0.164377 0.041469 0.044257 0.017258 0.064393 -0.102552 0.036921 0.266430 0.297965 -0.348780 -0.026935 -0.038769 0.040618 0.429780 0.163550 -0.495261 -0.025975 -0.107869 0.059540 0.202143 0.027035 -0.328449 0.005813 -0.001125 0.050642 -0.064840 -0.010530 0.043327 -0.174304 -0.268387 -0.066133 0.039030 0.034081 -0.075937 0.259226 -0.121273 -0.712869 -0.173186 -0.455700 0.308478 -0.015997 -0.029637 -0.035671 -0.393612 -0.529074 -0.132795 0.015499 -0.027090 0.061223 -0.060421 -0.241129 -0.011231 -0.010810 0.041610 0.057061 0.002256 -0.016539 0.039987 0.187280 -0.054427 -0.423356 -0.060367 0.022954 0.018349 0.260949 0.036343 0.092734 -0.726044 -0.245622 -0.275892 -0.050276 -0.028390 0.086845 -0.420430 -0.220244 0.284161 -0.076126 0.159563 0.061120 0.003214 -0.025005 -0.047105 0.001951 0.001639 -0.100153 0.058666 -0.058046 0.095807 -0.026617 0.296867 -0.314147 0.022752 0.011811 0.097033 -0.011259 0.066324 -0.016570 0.732764 0.472721 -0.535683 0.044933 -0.001745 0.032436 0.318616 0.542159 0.929570 0.029184 0.141196 -0.054115 0.089089 0.174892 -0.403344 0.036958 -0.052698 0.011369 -0.148012 -0.100601 0.111409 -0.083272 0.113344 0.332100 -0.000681 -0.005967 0.019842 0.138085 0.057999 0.054727 -0.036067 0.047282 0.573417 -0.020514 -0.125612 -0.169462 -0.061300 -0.083883 -0.507530 -0.041116 -0.127741 -0.096641 0.042878 -0.180923 -0.023109 -0.237698 -0.038704 0.290768 0.027450 0.063515 0.069498 0.121573 -0.073719 0.211941 -0.100933 0.069324 0.279041 -0.070497 -0.001871 0.025444 -0.241021 0.072142 0.047821 0.147991 -0.041536 -0.006831 -0.106078 -0.179929 0.527809 -0.059501 -0.029059 0.126838 -0.033095 0.001010 0.132200 0.061505 -0.010772 -0.408979 -0.230143 0.109716 -0.335943 -0.049416 -0.003513 0.139021 -0.040453 0.073697 0.091085 0.072790 -0.006286 0.004078 0.266156 0.182035 0.510029 0.010040 0.090871 0.104782 0.027060 0.003549 0.176621 0.099942 -0.110791 -0.890951 0.009157 -0.087292 -0.199242 0.033366 0.103643 0.071432 0.002604 -0.037588 0.000149 0.026096 -0.010538 0.024314 0.067090 0.056365 0.013547 -0.023109 0.019155 -0.025981 -0.007919 0.145400 -0.120919 0.018149 -0.000121 0.008435 0.078263 0.130039 -0.043521 -0.061467 -0.022191 0.095215 -0.192294 -0.009498 -0.025286 0.012463 -0.026463 0.062527 -0.004672 -0.053340 -0.047744 -0.169677 0.084460 0.018412 0.103539 0.020161 0.162027 0.039965 0.054605 0.012381 0.077999 -0.118248 0.029440 0.268977 0.298309 -0.345823 -0.022013 -0.053034 0.038347 0.431389 0.161914 -0.492732 -0.021959 -0.101566 0.059555 0.201341 0.026945 -0.329073 -0.001191 0.001390 0.051819 -0.066880 -0.017109 0.044026 -0.174356 -0.268350 -0.066271 0.046179 0.034426 -0.081557 0.087431 -0.086551 -0.138406 -0.179239 -0.454713 0.309621 -0.005764 -0.046227 -0.060615 -0.393933 -0.529854 -0.132896 0.005820 -0.016210 0.068865 -0.059834 -0.240565 -0.011897 -0.010923 0.043995 0.060907 0.005841 -0.030505 0.045628 0.187039 -0.054894 -0.421704 -0.063304 0.031566 0.037404 0.265272 0.035042 0.100620 -0.724924 -0.245569 -0.274370 -0.042630 -0.024641 0.096653 -0.419982 -0.218263 0.287230 -0.074547 0.159492 0.055903 0.003210 -0.024708 -0.047124 -0.005824 -0.001339 -0.110523 0.060047 -0.049473 0.107251 -0.027267 0.297199 -0.316010 0.025755 0.017078 0.092047 -0.013289 0.061966 -0.008650 0.731895 0.471826 -0.539563 0.037823 0.000204 0.014747 0.318602 0.543110 0.932554 0.012826 0.136845 -0.073637 0.088892 0.174483 -0.405921 0.051634 -0.051471 0.014882 -0.142432 -0.090118 0.125798 -0.083026 0.113643 0.335514 -0.002233 -0.014660 0.019078 0.146471 0.063036 0.052192 0.251483 -0.021910 -0.488590 -0.022670 -0.130477 -0.164743 -0.065039 -0.081322 -0.509785 -0.031780 -0.130739 -0.115907 0.030549 -0.216503 -0.037427 -0.237179 -0.039457 0.292080 0.019780 0.075591 0.077697 0.123975 -0.073658 0.214455 -0.099631 0.069327 0.282191 -0.070549 0.001065 0.009771 -0.232836 0.089240 0.036212 0.199031 -0.045818 0.006696 -0.108195 -0.180091 0.529863 -0.068047 -0.030309 0.162879 -0.027772 -0.026631 0.126790 0.057653 -0.010064 -0.388698 -0.225681 0.107738 -0.332895 -0.075921 -0.002759 0.155571 -0.060290 0.101615 0.107332 0.081685 -0.006519 0.001561 0.266007 0.182619 0.510648 0.007705 0.119827 0.112028 0.030843 -0.003962 0.193326 0.099772 -0.111278 -0.892129 0.011828 -0.085988 -0.188035 0.031089 0.107570 0.077217 0.001205 -0.049662 -0.024439 0.039304 -0.014219 0.030642 0.073988 0.054229 0.010613 -0.017691 0.018546 -0.030489 -0.004584 0.142475 -0.127057 0.003420 0.003545 0.013436 0.077061 0.130477 -0.043608 -0.060344 -0.010975 0.095485 -0.191349 -0.009068 -0.024708 0.027237 -0.033600 0.050056 -0.002980 -0.050940 -0.039269 -0.236526 0.092201 -0.001838 0.112897 0.016058 0.155205 0.035455 0.072166 0.003976 0.106209 -0.147743 0.012754 0.270175 0.298331 -0.340069 -0.014373 -0.071600 0.037150 0.434247 0.158198 -0.487511 -0.012658 -0.082051 0.054444 0.200379 0.026265 -0.329925 -0.013563 0.003973 0.053498 -0.067909 -0.036379 0.046826 -0.174438 -0.268431 -0.066392 0.056778 0.036600 -0.091809 -0.222698 -0.015659 0.896504 -0.186564 -0.452679 0.311808 0.010213 -0.076273 -0.113708 -0.394228 -0.532603 -0.132282 -0.013226 0.007910 0.087081 -0.058829 -0.239715 -0.013182 -0.010092 0.053574 0.069335 0.015201 -0.058025 0.054181 0.187177 -0.054504 -0.417213 -0.068426 0.044541 0.068643 0.263486 0.031757 0.115515 -0.722833 -0.244990 -0.271279 -0.027518 -0.017010 0.117809 -0.416265 -0.213764 0.293570 -0.078626 0.161797 0.039574 0.002203 -0.023991 -0.047271 -0.021386 -0.005824 -0.131277 0.062096 -0.031072 0.131562 -0.028780 0.297777 -0.320091 0.034902 0.028702 0.085890 -0.014309 0.053856 0.010610 0.730662 0.469873 -0.549384 0.024860 0.007919 -0.015261 0.315975 0.545737 0.938217 -0.016861 0.124664 -0.111212 0.090039 0.173706 -0.408645 0.077497 -0.056690 0.020648 -0.136727 -0.070940 0.157549 -0.081892 0.113253 0.342984 -0.007665 -0.030214 0.014608 0.164866 0.073389 0.039641 0.176356 -0.001938 -0.211488 -0.021910 -0.128321 -0.166766 -0.064063 -0.082034 -0.509525 -0.033591 -0.131394 -0.110203 0.035562 -0.205604 -0.030420 -0.237496 -0.038845 0.291472 0.023045 0.072760 0.077192 0.123354 -0.073520 0.213796 -0.099860 0.068990 0.281325 -0.070858 0.001102 0.014871 -0.233921 0.083900 0.041168 0.184639 -0.045176 0.003664 -0.107868 -0.178977 0.528358 -0.064615 -0.030663 0.155095 -0.033524 -0.020833 0.129562 0.058063 -0.010998 -0.394053 -0.227135 0.107690 -0.331563 -0.068285 -0.003375 0.151998 -0.051200 0.092338 0.103141 0.081712 -0.004907 0.002426 0.266137 0.182763 0.510558 0.007700 0.113059 0.108879 0.030605 -0.001945 0.188797 0.099463 -0.111269 -0.891616 0.010914 -0.086550 -0.191401 0.032371 0.106204 0.073953 -0.000309 -0.046298 -0.017476 0.038767 -0.011403 0.028991 0.072164 0.054827 0.011756 -0.018708 0.018155 -0.031334 -0.004944 0.142865 -0.125070 0.010019 0.001327 0.012452 0.077168 0.129905 -0.043906 -0.061657 -0.013511 0.095447 -0.191975 -0.009464 -0.025357 0.023268 -0.030848 0.055174 -0.003623 -0.051428 -0.041692 -0.217058 0.090339 0.002925 0.108617 0.017983 0.156963 0.037213 0.066355 0.007252 0.097046 -0.140270 0.017809 0.270997 0.299378 -0.342255 -0.015768 -0.073636 0.036000 0.433566 0.156001 -0.489986 -0.014923 -0.085869 0.055090 0.201030 0.026395 -0.330210 -0.011444 0.003492 0.052384 -0.067223 -0.038752 0.046399 -0.174365 -0.268121 -0.066954 0.054766 0.037042 -0.090624 -0.139467 -0.028734 0.625504 -0.186420 -0.452089 0.310786 0.006167 -0.069716 -0.101604 -0.394189 -0.532816 -0.133176 -0.008406 0.001168 0.083408 -0.059759 -0.240445 -0.012925 -0.010419 0.041576 0.067892 0.012446 -0.051415 0.052352 0.186939 -0.051660 -0.419699 -0.066421 0.041405 0.062489 0.256128 0.033426 0.112936 -0.723065 -0.245909 -0.273504 -0.030506 -0.012040 0.111498 -0.414560 -0.212377 0.291806 -0.077720 0.161803 0.043028 -0.000220 -0.024387 -0.047960 -0.018840 -0.005456 -0.129454 0.062125 -0.029894 0.129324 -0.028231 0.297276 -0.317423 0.031069 0.025265 0.084109 -0.012736 0.052425 0.007748 0.730771 0.469221 -0.545585 0.025901 0.005738 -0.009782 0.313595 0.545690 0.936147 -0.012214 0.127324 -0.101704 0.092527 0.173984 -0.405969 0.071256 -0.046764 0.015709 -0.135588 -0.074693 0.151567 -0.082659 0.110424 0.341409 -0.005226 -0.026129 0.015420 0.159500 0.070879 0.042657 0.172463 -0.005229 -0.198478 -0.023396 -0.127540 -0.161520 -0.065078 -0.082743 -0.508084 -0.020310 -0.101529 -0.094037 0.025481 -0.184743 -0.031884 -0.237217 -0.039531 0.291789 0.014267 0.062959 0.073713 0.124483 -0.073851 0.213733 -0.099817 0.069151 0.281998 -0.063862 0.000411 0.015282 -0.190027 0.075366 0.037161 0.179132 -0.037342 0.007626 -0.108730 -0.180445 0.528979 -0.057473 -0.024916 0.145849 -0.025529 -0.026357 0.111692 0.058802 -0.009231 -0.390155 -0.224703 0.106887 -0.333704 -0.071484 -0.003011 0.138280 -0.046452 0.084280 0.096849 0.071999 -0.006393 0.000635 0.266025 0.182991 0.509859 0.005138 0.105263 0.113288 0.027441 -0.006844 0.178201 0.099732 -0.111975 -0.892486 0.011992 -0.086846 -0.186705 0.030233 0.104641 0.078845 0.001445 -0.044473 -0.015565 0.042979 -0.011610 0.032283 0.063541 0.047461 0.012472 -0.012613 0.017077 -0.029120 -0.006007 0.143428 -0.125878 0.002789 0.004787 0.013491 0.077027 0.130491 -0.043209 -0.054426 -0.005562 0.090532 -0.191267 -0.009270 -0.024526 0.027933 -0.027738 0.047430 -0.001933 -0.049969 -0.041793 -0.208542 0.083320 0.001631 0.099188 0.009710 0.136203 0.030441 0.063899 0.005179 0.089715 -0.126993 0.023707 0.268299 0.295599 -0.338390 -0.004025 -0.063334 0.035174 0.433644 0.155628 -0.484471 -0.011351 -0.070657 0.055701 0.200095 0.025913 -0.330511 -0.013987 0.003711 0.052504 -0.062529 -0.036883 0.045585 -0.174704 -0.268762 -0.067319 0.049950 0.032995 -0.066402 -0.132533 -0.029858 0.601584 -0.184258 -0.452883 0.312258 -0.000068 -0.065742 -0.089906 -0.393317 -0.532471 -0.131351 -0.011972 0.002081 0.083384 -0.058630 -0.240424 -0.013907 -0.008352 0.043277 0.067128 0.016291 -0.048907 0.053977 0.187517 -0.054696 -0.418373 -0.060674 0.035354 0.065344 0.210893 0.030960 0.105679 -0.722435 -0.242873 -0.271058 -0.029857 -0.016702 0.110818 -0.413323 -0.210037 0.294701 -0.075038 0.145314 0.037248 0.001724 -0.023929 -0.047974 -0.018158 -0.004279 -0.121612 0.059674 -0.026725 0.131354 -0.028926 0.297763 -0.321884 0.031979 0.023946 0.085502 -0.013385 0.051502 0.005594 0.730889 0.468958 -0.548885 0.027483 0.005214 -0.010327 0.313710 0.545619 0.935352 -0.016617 0.113811 -0.091986 0.090543 0.173952 -0.409509 0.067223 -0.045736 0.026086 -0.124575 -0.068586 0.149317 -0.081916 0.113149 0.344166 -0.006798 -0.025513 0.010131 0.144135 0.056266 0.045713 0.166866 -0.016158 -0.173053 -0.027409 -0.123930 -0.145599 -0.068372 -0.083715 -0.504024 0.011477 -0.025174 -0.048055 -0.001080 -0.130807 -0.022588 -0.236610 -0.040231 0.292932 -0.012836 0.030909 0.067254 0.128431 -0.073413 0.214492 -0.099032 0.069486 0.285029 -0.040711 -0.000649 0.008225 -0.061878 0.050104 0.030327 0.161048 -0.012579 0.019093 -0.112000 -0.181077 0.529690 -0.037367 -0.006715 0.123344 -0.011976 -0.047325 0.065765 0.059429 -0.004986 -0.376535 -0.217656 0.103553 -0.332395 -0.081338 -0.002768 0.100069 -0.026596 0.065059 0.076494 0.045613 -0.006935 -0.004122 0.266167 0.185568 0.508802 -0.002023 0.086444 0.122598 0.020226 -0.022114 0.145539 0.099682 -0.113488 -0.893866 0.015330 -0.087229 -0.172407 0.025775 0.101096 0.091734 0.001770 -0.038647 -0.010260 0.055927 -0.008684 0.038113 0.039420 0.030739 0.012721 0.006726 0.011791 -0.025955 -0.007437 0.144845 -0.126451 -0.011276 0.010189 0.018749 0.076211 0.131927 -0.041350 -0.030643 0.019593 0.072048 -0.189751 -0.008411 -0.022604 0.042032 -0.014629 0.027524 0.003038 -0.044343 -0.041627 -0.186565 0.059965 -0.006520 0.064907 -0.014562 0.075125 0.013389 0.052555 0.000634 0.063028 -0.089562 0.043020 0.265576 0.288015 -0.328176 0.032107 -0.071171 0.029380 0.434699 0.147052 -0.469834 0.000981 -0.023888 0.058193 0.198546 0.025007 -0.331913 -0.027314 0.004859 0.049160 -0.050413 -0.037564 0.047415 -0.175255 -0.268935 -0.069296 0.039390 0.023579 -0.001649 -0.124961 -0.016636 0.534662 -0.185409 -0.451531 0.316872 -0.014367 -0.062499 -0.063364 -0.390728 -0.533578 -0.126890 -0.029496 0.008218 0.078952 -0.056791 -0.240572 -0.016127 -0.004789 0.039701 0.068616 0.026472 -0.045389 0.060288 0.188725 -0.054735 -0.417700 -0.041621 0.021498 0.082317 0.084763 0.022493 0.088780 -0.718889 -0.234788 -0.266531 -0.017245 0.001160 0.105141 -0.402586 -0.195816 0.304077 -0.057041 0.093929 0.017616 0.000052 -0.022132 -0.049231 -0.022571 -0.005984 -0.115499 0.057886 -0.008984 0.154411 -0.030518 0.299169 -0.330865 0.025342 0.020425 0.074922 -0.009010 0.033772 0.010497 0.729630 0.466548 -0.559306 0.021746 0.003025 -0.016776 0.306440 0.548314 0.932964 -0.038028 0.075681 -0.065185 0.092587 0.174713 -0.415218 0.060585 -0.031948 0.048606 -0.085763 -0.044886 0.156165 -0.080643 0.113927 0.354374 -0.007754 -0.026099 -0.005710 0.101727 0.010355 0.053951 0.157158 -0.040989 -0.142782 -0.036181 -0.116686 -0.115178 -0.076200 -0.086863 -0.496193 0.078213 0.114953 0.035180 -0.042526 -0.015186 0.000281 -0.236467 -0.042392 0.295905 -0.046903 -0.023482 0.059005 0.135219 -0.073476 0.216981 -0.098487 0.069101 0.291461 0.002843 -0.002430 0.003468 0.168279 -0.008162 0.021317 0.122660 0.037102 0.048913 -0.119661 -0.182859 0.530887 0.002597 0.027871 0.081504 0.014651 -0.090790 -0.026084 0.059465 0.002238 -0.349348 -0.204578 0.096052 -0.330512 -0.104085 -0.003046 0.024901 0.019218 0.016124 0.038879 -0.004624 -0.006856 -0.014924 0.265453 0.189743 0.507160 -0.019815 0.040435 0.137422 0.006135 -0.053577 0.079189 0.098429 -0.117491 -0.895707 0.021083 -0.089230 -0.145725 0.016362 0.092665 0.115832 0.002186 -0.028468 0.000152 0.091499 -0.003976 0.053384 -0.011197 -0.004527 0.018305 0.043953 0.001753 -0.023628 -0.011086 0.146834 -0.127438 -0.039097 0.021892 0.028841 0.073538 0.133647 -0.037255 0.013137 0.068232 0.037284 -0.187930 -0.007672 -0.018144 0.070569 0.013757 -0.013034 0.011929 -0.034247 -0.041475 -0.138215 0.015009 -0.019858 -0.009051 -0.056699 -0.045679 -0.023616 0.033363 -0.003315 0.003744 -0.016657 0.080719 0.258077 0.272118 -0.307979 0.099813 -0.072745 0.011921 0.435898 0.127570 -0.441462 0.024097 0.070744 0.056889 0.194914 0.022290 -0.333925 -0.051997 0.005986 0.040339 -0.027113 -0.056151 0.046499 -0.177478 -0.270384 -0.072291 0.017265 0.004169 0.123571 -0.088625 0.030810 0.407582 -0.187569 -0.449534 0.325944 -0.040926 -0.052641 -0.013029 -0.386794 -0.537408 -0.117554 -0.062341 0.020884 0.072306 -0.054615 -0.242206 -0.019621 0.001070 0.018281 0.072627 0.047075 -0.037016 0.073209 0.190355 -0.054847 -0.415918 -0.007033 -0.008112 0.115365 -0.169102 0.009638 0.052433 -0.712938 -0.219744 -0.258317 0.014605 0.028571 0.095430 -0.381649 -0.166995 0.321262 -0.023229 0.004044 -0.024730 -0.004953 -0.019673 -0.050999 -0.033214 -0.004631 -0.100025 0.058931 0.038624 0.185621 -0.034785 0.301128 -0.347328 0.022898 0.022873 0.056861 -0.005173 -0.009003 0.019194 0.726905 0.460003 -0.575417 0.016582 -0.002758 -0.034067 0.290017 0.553432 0.929066 -0.080016 0.002410 -0.012936 0.096521 0.175377 -0.424874 0.044550 0.008684 0.093710 -0.010024 0.000227 0.168564 -0.079086 0.113756 0.375851 -0.013348 -0.026116 -0.034874 0.023832 -0.076664 0.080407 0.149838 -0.104030 -0.143451 -0.051674 -0.103343 -0.057020 -0.091599 -0.092655 -0.483932 0.212137 0.352875 0.192139 -0.140160 0.203994 0.046982 -0.235035 -0.047063 0.300651 -0.111740 -0.134296 0.044498 0.149320 -0.072716 0.220068 -0.097856 0.069218 0.303576 0.094323 -0.008482 -0.006858 0.527592 -0.121772 0.012252 0.042836 0.139979 0.114872 -0.134189 -0.186838 0.532831 0.077952 0.101725 -0.006868 0.066723 -0.176630 -0.205926 0.060893 0.018101 -0.297443 -0.177882 0.082503 -0.328943 -0.147402 -0.004689 -0.123692 0.120879 -0.071162 -0.036166 -0.104572 -0.006178 -0.037095 0.265389 0.199789 0.502821 -0.061544 -0.074602 0.163171 -0.031654 -0.119561 -0.056612 0.096768 -0.125296 -0.900414 0.034325 -0.092928 -0.098056 -0.000091 0.077611 0.164514 0.004376 -0.009169 0.011364 0.158341 -0.003397 0.074285 -0.120699 -0.066321 0.028425 0.118656 -0.015377 -0.022167 -0.016663 0.152559 -0.130543 -0.094254 0.046530 0.047375 0.070283 0.138879 -0.030315 0.099110 0.166271 -0.028961 -0.182411 -0.004934 -0.010240 0.131391 0.064537 -0.099102 0.030411 -0.014048 -0.043829 -0.033968 -0.062528 -0.043605 -0.164439 -0.140814 -0.269146 -0.093959 -0.008815 -0.010417 -0.124086 0.118944 0.156707 0.244173 0.240838 -0.272091 0.227703 -0.083521 -0.018315 0.439362 0.089010 -0.389156 0.075608 0.247522 0.068145 0.189026 0.017473 -0.338060 -0.098543 0.009368 0.034414 0.024161 -0.069908 0.042878 -0.180704 -0.272421 -0.079158 -0.020345 -0.031210 0.355640 -0.033084 0.148479 0.241550 -0.191656 -0.444695 0.340559 -0.090955 -0.027232 0.085488 -0.378566 -0.544974 -0.099388 -0.133442 0.050890 0.058900 -0.049522 -0.244646 -0.026353 0.014927 -0.011637 0.076172 0.086433 -0.016394 0.096148 0.194588 -0.054470 -0.416652 0.062954 -0.059361 0.191598 -0.572761 -0.000649 -0.016639 -0.698744 -0.187983 -0.243184 0.088793 0.083618 0.080925 -0.340808 -0.109234 0.347397 0.042927 -0.148583 -0.104535 -0.013745 -0.013860 -0.054962 -0.053210 -0.004944 -0.075165 0.057944 0.091075 0.267779 -0.042114 0.306358 -0.382794 0.005370 0.017026 0.029997 0.000671 -0.080025 0.035330 0.722353 0.447448 -0.608546 -0.005428 -0.021181 -0.060175 0.259724 0.565022 0.920347 -0.181752 -0.135015 0.085731 0.105156 0.177604 -0.448538 0.011947 0.076456 0.186197 0.155484 0.090658 0.183139 -0.074826 0.114791 0.418733 -0.018245 -0.028947 -0.091024 -0.126523 -0.248618 0.131937 0.152734 -0.058545 -0.131801 -0.041512 -0.112731 -0.096154 -0.081195 -0.088777 -0.491828 0.121146 0.197844 0.087545 -0.073026 0.053971 0.016015 -0.236376 -0.043959 0.297556 -0.070565 -0.061299 0.053853 0.139267 -0.073416 0.217923 -0.098611 0.069051 0.295440 0.030622 -0.003698 -0.001208 0.295306 -0.044244 0.014982 0.097633 0.068717 0.068206 -0.124726 -0.184391 0.531653 0.026659 0.052204 0.052728 0.030592 -0.117282 -0.082276 0.059590 0.007212 -0.332651 -0.196534 0.091450 -0.329040 -0.116984 -0.003945 -0.021149 0.048917 -0.010365 0.014435 -0.037027 -0.006815 -0.021740 0.265098 0.192935 0.505906 -0.030746 0.006819 0.144504 -0.003507 -0.074746 0.036842 0.097656 -0.120071 -0.897262 0.025021 -0.090480 -0.129520 0.010563 0.087699 0.131828 0.002576 -0.022524 0.004526 0.107795 -0.004507 0.059955 -0.044194 -0.024447 0.020483 0.066435 -0.004146 -0.021274 -0.013236 0.148385 -0.128195 -0.056644 0.028927 0.035873 0.072172 0.135172 -0.034859 0.039372 0.098909 0.016798 -0.186536 -0.007008 -0.015610 0.089425 0.028091 -0.038924 0.017415 -0.027749 -0.041758 -0.106945 -0.011607 -0.029119 -0.057006 -0.084403 -0.120048 -0.045728 0.020052 -0.006237 -0.035492 0.028762 0.104157 0.253705 0.261986 -0.296157 0.141548 -0.081738 0.002716 0.436547 0.114239 -0.424460 0.043134 0.125413 0.060138 0.192523 0.020378 -0.334981 -0.069303 0.007433 0.038184 -0.010242 -0.053090 0.046653 -0.178829 -0.271266 -0.074167 0.004651 -0.006280 0.199494 -0.067795 0.065366 0.343183 -0.189645 -0.448194 0.330942 -0.055520 -0.045889 0.016486 -0.384419 -0.541058 -0.111948 -0.085529 0.029200 0.066694 -0.053123 -0.243440 -0.021638 0.005925 0.010665 0.073456 0.061242 -0.030498 0.078985 0.191322 -0.055377 -0.415985 0.011874 -0.024145 0.138128 -0.291840 0.008211 0.030127 -0.709590 -0.209897 -0.253035 0.036898 0.049335 0.091867 -0.369582 -0.147913 0.330540 0.000197 -0.047689 -0.053198 -0.007853 -0.017766 -0.051872 -0.041033 -0.005634 -0.091626 0.055675 0.049763 0.213515 -0.037348 0.302623 -0.358097 0.017403 0.023563 0.046984 -0.004979 -0.030852 0.022850 0.725730 0.455966 -0.586299 0.015098 -0.006129 -0.043068 0.280605 0.558196 0.926198 -0.112804 -0.041643 0.017791 0.098640 0.176236 -0.432190 0.034069 0.028060 0.123542 0.042079 0.031056 0.174487 -0.078240 0.114320 0.390524 -0.013600 -0.027292 -0.054258 -0.026993 -0.131270 0.098941 -0.048653 0.027369 0.657714 -0.043664 -0.113540 -0.082202 -0.082285 -0.094558 -0.504230 0.083756 0.137859 0.084953 -0.060000 0.059961 0.024502 -0.235965 -0.045092 0.297390 -0.054070 -0.042461 0.044760 0.141481 -0.073168 0.218571 -0.099088 0.069005 0.295366 0.028932 -0.008522 0.009116 0.194028 -0.043022 0.027690 0.064195 0.050935 0.073667 -0.126894 -0.186631 0.530716 -0.002207 0.037689 0.057675 0.029514 -0.071397 -0.074107 0.059171 0.006462 -0.319162 -0.200393 0.093438 -0.333872 -0.056646 0.000200 -0.013053 0.054579 -0.020162 0.031600 -0.049017 0.009620 0.000550 0.264977 0.195036 0.503826 -0.036097 -0.008457 0.142826 -0.002357 -0.057743 0.014801 0.096349 -0.121784 -0.897793 0.027343 -0.087167 -0.110456 0.015291 0.088964 0.143179 0.002500 -0.021405 0.010981 0.077217 -0.004802 0.054944 -0.041512 -0.030584 0.023798 0.055499 -0.007427 -0.021078 -0.013250 0.151950 -0.112456 -0.055214 0.010410 0.023717 0.072853 0.137694 -0.036568 0.043900 0.067346 0.009433 -0.183638 -0.005997 -0.018653 0.048875 0.032782 -0.043940 0.019163 -0.027791 -0.038718 -0.069953 -0.028071 -0.017331 -0.043798 -0.045269 -0.071741 -0.037391 0.003741 0.005245 -0.027813 0.033245 0.098493 0.260007 0.253608 -0.286522 0.128430 -0.058217 0.011458 0.436264 0.118003 -0.404923 0.036838 0.094631 0.060094 0.192082 0.020025 -0.334631 -0.053065 0.003916 0.030618 -0.017444 -0.030795 0.041987 -0.179276 -0.271278 -0.072596 -0.000588 -0.010195 0.110202 0.184666 -0.036762 -0.501004 -0.200602 -0.444060 0.345627 -0.043773 -0.030312 0.036115 -0.385486 -0.537179 -0.109014 -0.073285 0.047061 0.064833 -0.052532 -0.243146 -0.022948 0.000695 -0.008038 0.050938 0.046232 -0.025737 0.081738 0.191980 -0.055047 -0.419050 0.021219 -0.013693 0.134697 -0.193838 0.010798 0.020163 -0.703624 -0.200305 -0.252940 0.036011 0.046270 0.060365 -0.356563 -0.153665 0.341406 -0.003666 -0.062063 -0.037051 -0.007815 -0.017167 -0.051454 -0.031169 -0.000759 -0.075029 0.025385 0.039359 0.207630 -0.038466 0.302993 -0.363426 0.010639 0.016574 0.039013 0.000408 -0.011663 0.010845 0.721011 0.452400 -0.590059 0.009494 -0.011797 -0.021561 0.267637 0.554818 0.922430 -0.073208 -0.043202 0.044596 0.098989 0.175733 -0.442874 0.016062 0.034056 0.104690 0.054094 0.050355 0.135951 -0.077344 0.114856 0.398772 -0.009881 -0.018934 -0.050010 -0.046232 -0.120100 0.090771 -0.175905 0.087322 1.162444 -0.044784 -0.114097 -0.074214 -0.082954 -0.097846 -0.511653 0.063593 0.099326 0.080905 -0.050040 0.065145 0.028377 -0.235672 -0.045677 0.297096 -0.045635 -0.031462 0.042171 0.142721 -0.073025 0.218611 -0.099401 0.068860 0.295071 0.027754 -0.011094 0.017767 0.138107 -0.041213 0.033101 0.045239 0.041117 0.077806 -0.128250 -0.187508 0.529993 -0.020593 0.029626 0.062650 0.030855 -0.045390 -0.069564 0.058957 0.005588 -0.312070 -0.202688 0.094540 -0.338280 -0.020966 0.000667 -0.008458 0.057735 -0.029510 0.042289 -0.056741 0.018970 0.013069 0.264872 0.196301 0.502471 -0.040016 -0.016435 0.143984 -0.002215 -0.047543 0.002113 0.095505 -0.122895 -0.898163 0.028813 -0.085114 -0.099586 0.018150 0.089706 0.149202 0.003310 -0.019786 0.014591 0.065443 -0.005050 0.053844 -0.041128 -0.035487 0.026163 0.048651 -0.009364 -0.020294 -0.013223 0.153618 -0.103621 -0.054966 0.000343 0.016669 0.073267 0.138910 -0.037748 0.046277 0.049951 0.004308 -0.182166 -0.005485 -0.020851 0.026602 0.034556 -0.046469 0.020144 -0.027784 -0.037104 -0.049156 -0.035170 -0.007310 -0.035782 -0.024046 -0.043488 -0.032353 -0.005000 0.011135 -0.022556 0.035801 0.095960 0.263178 0.248627 -0.281218 0.119164 -0.033768 0.015768 0.436141 0.119653 -0.393834 0.032223 0.076215 0.059541 0.191752 0.019945 -0.334564 -0.043787 0.001797 0.023663 -0.022120 -0.023365 0.038273 -0.179538 -0.271230 -0.071855 -0.003205 -0.012081 0.055523 0.347580 -0.104015 -1.042960 -0.206298 -0.441854 0.353598 -0.039022 -0.020137 0.052379 -0.386244 -0.535503 -0.107743 -0.065695 0.057070 0.062564 -0.052096 -0.243114 -0.023888 -0.006708 -0.014985 0.040264 0.036821 -0.022458 0.082401 0.192415 -0.054610 -0.420900 0.028799 -0.007529 0.133199 -0.145727 0.015275 0.013892 -0.700671 -0.194694 -0.252766 0.037708 0.034940 0.045898 -0.348184 -0.156621 0.347870 -0.007878 -0.070500 -0.026627 -0.007899 -0.017034 -0.051495 -0.028154 0.001137 -0.058948 0.011534 0.038910 0.199586 -0.038949 0.303127 -0.366868 0.005158 0.013389 0.034805 0.006686 -0.000871 0.002895 0.718850 0.450442 -0.593217 0.005108 -0.014220 -0.008953 0.259216 0.553460 0.919951 -0.049340 -0.044639 0.060542 0.099580 0.175231 -0.448345 0.005045 0.033094 0.093729 0.060993 0.059265 0.113550 -0.077006 0.114974 0.403793 -0.006444 -0.012310 -0.047748 -0.061792 -0.115379 0.085325 -0.147521 0.075817 1.063535 -0.045151 -0.115206 -0.069670 -0.082357 -0.099893 -0.516581 0.049958 0.072641 0.076809 -0.047433 0.062331 0.028711 -0.235543 -0.046218 0.296798 -0.039724 -0.025782 0.039685 0.143432 -0.072883 0.218356 -0.099695 0.068787 0.294885 0.026587 -0.012836 0.016967 0.105170 -0.038597 0.033942 0.035881 0.032680 0.076953 -0.128903 -0.188038 0.529394 -0.031609 0.023646 0.063666 0.030742 -0.027811 -0.063907 0.058665 0.004944 -0.308621 -0.204263 0.095380 -0.340161 0.000654 0.001831 -0.003125 0.055031 -0.028115 0.047841 -0.060602 0.023008 0.020557 0.265048 0.197195 0.501559 -0.039299 -0.025628 0.141775 -0.000837 -0.040756 -0.004999 0.095208 -0.123516 -0.898389 0.029363 -0.083915 -0.092725 0.020442 0.090593 0.152798 0.003456 -0.019378 0.015114 0.048723 -0.005999 0.050813 -0.036916 -0.035290 0.025421 0.043924 -0.010849 -0.016615 -0.012456 0.154760 -0.098025 -0.053997 -0.005040 0.012574 0.073847 0.139597 -0.038779 0.045547 0.036979 0.002953 -0.181222 -0.005088 -0.022250 0.013057 0.035547 -0.044709 0.020553 -0.028120 -0.035653 -0.038674 -0.039437 -0.003691 -0.029579 -0.010016 -0.025583 -0.028266 -0.009865 0.013998 -0.017575 0.036690 0.089815 0.266226 0.245875 -0.278976 0.113429 -0.034247 0.016748 0.436253 0.120442 -0.387954 0.027761 0.064210 0.057847 0.191924 0.019718 -0.334562 -0.037194 0.002134 0.020217 -0.028096 -0.002562 0.038207 -0.179698 -0.271331 -0.071482 -0.005356 -0.014200 0.024835 0.321774 -0.095484 -0.951135 -0.210939 -0.440153 0.358452 -0.034352 -0.014767 0.056688 -0.386830 -0.534226 -0.106930 -0.059098 0.062317 0.061694 -0.052040 -0.243083 -0.024310 -0.008061 -0.010479 0.033125 0.034932 -0.023083 0.084800 0.192875 -0.054286 -0.423333 0.030488 -0.003041 0.132439 -0.093641 0.016417 0.015326 -0.698882 -0.191517 -0.253113 0.034995 0.037610 0.036930 -0.343470 -0.158432 0.350966 -0.011129 -0.070552 -0.020159 -0.008110 -0.016803 -0.051585 -0.024712 0.001380 -0.054347 0.007398 0.023062 0.201145 -0.039337 0.303242 -0.368854 -0.002486 0.012909 0.033555 0.006643 0.007119 -0.001463 0.717199 0.448844 -0.594983 0.005260 -0.012275 -0.001450 0.254378 0.552265 0.918652 -0.034774 -0.042671 0.067886 0.100038 0.175199 -0.452056 -0.001239 0.025805 0.088078 0.061949 0.062339 0.103910 -0.076410 0.114848 0.406004 -0.003098 -0.008648 -0.046868 -0.068236 -0.108044 0.084618 -0.067220 0.038895 0.769368 -0.047308 -0.116051 -0.057109 -0.083384 -0.105834 -0.532133 0.006246 0.000176 0.066919 -0.026434 0.061657 0.038088 -0.235225 -0.047280 0.296824 -0.025036 -0.009470 0.037882 0.145268 -0.072627 0.219451 -0.100770 0.068715 0.294542 0.022629 -0.016764 0.031671 0.012187 -0.031099 0.033326 0.003645 0.007946 0.078915 -0.131461 -0.190499 0.528611 -0.062866 0.003390 0.075115 0.025906 0.019466 -0.048101 0.058284 0.003215 -0.298525 -0.209544 0.098345 -0.348004 0.062520 0.007262 0.011015 0.057009 -0.041588 0.072241 -0.065723 0.038204 0.044328 0.264601 0.199567 0.499687 -0.041816 -0.051647 0.134604 -0.000138 -0.019495 -0.022952 0.093494 -0.125348 -0.898952 0.031282 -0.079690 -0.073626 0.025370 0.092370 0.163415 0.004359 -0.015906 0.020747 0.025247 -0.002947 0.047808 -0.033032 -0.041106 0.028699 0.027443 -0.013455 -0.016544 -0.012403 0.157980 -0.081505 -0.050330 -0.023904 0.000608 0.074648 0.142507 -0.040779 0.043538 0.001793 -0.000696 -0.178149 -0.003967 -0.025882 -0.028060 0.036642 -0.042583 0.021736 -0.028880 -0.030763 -0.004142 -0.052349 0.015075 -0.008218 0.029553 0.034885 -0.017467 -0.023499 0.023617 -0.004074 0.037002 0.077318 0.270688 0.237712 -0.270267 0.084618 0.007574 0.025770 0.435631 0.123793 -0.369252 0.019964 0.019000 0.048948 0.191200 0.019236 -0.334025 -0.017623 -0.002038 0.004962 -0.033993 0.011930 0.033316 -0.180173 -0.271133 -0.069394 -0.010438 -0.017962 -0.078834 0.268172 -0.063347 -0.694211 -0.219644 -0.435655 0.374803 -0.012623 0.004706 0.067776 -0.388860 -0.530478 -0.103869 -0.040352 0.079201 0.057588 -0.051461 -0.242964 -0.025935 -0.012942 -0.029209 0.008940 0.023145 -0.021415 0.085495 0.193320 -0.054128 -0.427312 0.039934 0.012257 0.120478 0.008424 0.024606 0.005606 -0.693862 -0.181747 -0.253835 0.035363 0.012507 0.005834 -0.330193 -0.164522 0.361465 -0.024644 -0.072473 -0.002517 -0.007531 -0.016063 -0.050663 -0.017409 0.004498 -0.026576 -0.013672 0.016689 0.195397 -0.040569 0.303522 -0.374198 -0.004872 0.005625 0.026702 0.014070 0.029136 -0.012433 0.713519 0.445621 -0.598678 -0.006889 -0.011590 0.021103 0.240080 0.549641 0.914403 0.014177 -0.038809 0.089966 0.099769 0.174645 -0.463780 -0.018382 0.033087 0.064038 0.068292 0.078037 0.067801 -0.075848 0.115820 0.415334 -0.002148 0.002610 -0.037527 -0.088849 -0.089196 0.070975 0.078094 -0.041118 0.212755 -0.051147 -0.120352 -0.032061 -0.084299 -0.118639 -0.564164 -0.069505 -0.145904 0.047960 0.009545 0.057251 0.050780 -0.234511 -0.050275 0.296218 0.003364 0.029147 0.026519 0.149029 -0.072349 0.220094 -0.102995 0.068295 0.293443 0.012407 -0.026847 0.050274 -0.190883 -0.014242 0.030278 -0.058140 -0.041700 0.082030 -0.136224 -0.196154 0.526660 -0.123997 -0.032629 0.090778 0.022635 0.121899 -0.014093 0.057398 -0.000162 -0.282829 -0.219894 0.103808 -0.365693 0.186432 0.017578 0.043246 0.054922 -0.058318 0.114072 -0.081371 0.067086 0.089765 0.264488 0.204194 0.495186 -0.040522 -0.107811 0.122549 0.004364 0.021464 -0.058581 0.090346 -0.129292 -0.900183 0.035144 -0.071970 -0.036373 0.036142 0.096154 0.185076 0.005194 -0.011138 0.030885 -0.028074 -0.000933 0.041669 -0.019810 -0.047784 0.029976 -0.004405 -0.020886 -0.008646 -0.011023 0.164651 -0.049591 -0.043558 -0.061155 -0.021680 0.076905 0.148349 -0.045459 0.041521 -0.073527 -0.011429 -0.171670 -0.001803 -0.033588 -0.111847 0.038194 -0.039385 0.024181 -0.030495 -0.021929 0.064259 -0.077339 0.045798 0.033123 0.106213 0.160405 0.003881 -0.054403 0.042374 0.027438 0.043327 0.053147 0.282272 0.221150 -0.253840 0.031965 0.069514 0.040996 0.434285 0.129785 -0.332791 0.002913 -0.064585 0.027564 0.190352 0.018121 -0.333255 0.017563 -0.011571 -0.018502 -0.049952 0.072869 0.025492 -0.180993 -0.271365 -0.065821 -0.024830 -0.028030 -0.262961 0.157883 0.007320 -0.201613 -0.239997 -0.426196 0.405852 0.021798 0.037427 0.093482 -0.392157 -0.522697 -0.097959 -0.009413 0.106624 0.052424 -0.050381 -0.242942 -0.029653 -0.020478 -0.043297 -0.040297 -0.001621 -0.015105 0.088722 0.194737 -0.053966 -0.437089 0.056119 0.039328 0.104300 0.257631 0.036406 -0.011350 -0.682580 -0.162733 -0.254550 0.027458 -0.018522 -0.051976 -0.304622 -0.176452 0.382020 -0.039081 -0.073148 0.032560 -0.006748 -0.015015 -0.049466 -0.001314 0.010602 0.023631 -0.065053 -0.022551 0.182638 -0.042677 0.304123 -0.385720 -0.025513 -0.003655 0.013885 0.023144 0.076855 -0.035783 0.704256 0.437578 -0.608142 -0.019922 -0.010462 0.069342 0.212548 0.543300 0.905886 0.102923 -0.032587 0.134647 0.099953 0.173329 -0.488353 -0.049558 0.023494 0.023830 0.076925 0.112796 -0.005569 -0.074287 0.117157 0.431502 0.013269 0.026275 -0.018178 -0.123754 -0.049563 0.047839 0.121844 -0.065804 0.016717 -0.051587 -0.118007 -0.034448 -0.083908 -0.116861 -0.564180 -0.062326 -0.130103 0.053675 0.014671 0.054086 0.051601 -0.234770 -0.049686 0.296126 -0.000228 0.024025 0.030354 0.149112 -0.071911 0.221390 -0.103844 0.067763 0.293438 0.015071 -0.017542 0.054716 -0.154222 -0.013924 0.031297 -0.051352 -0.039190 0.077852 -0.137210 -0.195718 0.524802 -0.107695 -0.029068 0.091166 0.016801 0.105398 -0.019052 0.056799 -0.001432 -0.283018 -0.219260 0.103631 -0.366223 0.164576 0.017528 0.039300 0.056347 -0.064150 0.116812 -0.067369 0.061452 0.083339 0.264231 0.205195 0.494545 -0.040370 -0.097276 0.118811 0.001581 0.019484 -0.053422 0.089633 -0.129745 -0.901054 0.033951 -0.070831 -0.037195 0.035433 0.095667 0.182402 0.006577 -0.006400 0.029325 -0.007342 0.004334 0.046189 -0.025320 -0.052522 0.032072 -0.003165 -0.019898 -0.010684 -0.009746 0.162789 -0.052333 -0.040753 -0.056156 -0.018296 0.076928 0.148192 -0.046243 0.034285 -0.061564 -0.009225 -0.171649 -0.001817 -0.034402 -0.098796 0.033386 -0.035222 0.023821 -0.030499 -0.018829 0.053433 -0.072828 0.046075 0.028706 0.089653 0.136035 0.001832 -0.048631 0.037076 0.019417 0.040470 0.054218 0.278487 0.221355 -0.256719 0.033098 0.082998 0.037405 0.435041 0.124937 -0.335515 0.004578 -0.058829 0.025878 0.190266 0.017839 -0.334166 0.015675 -0.012537 -0.014704 -0.043605 0.033931 0.023628 -0.181307 -0.271264 -0.066545 -0.021483 -0.026544 -0.240455 0.126864 0.026701 -0.005637 -0.235479 -0.424229 0.406237 0.017662 0.036236 0.092852 -0.393693 -0.522685 -0.096469 -0.011493 0.100003 0.052752 -0.050926 -0.243304 -0.029753 -0.018055 -0.057962 -0.036840 -0.000541 -0.012622 0.087962 0.194617 -0.051223 -0.440318 0.051376 0.038048 0.105420 0.183608 0.034475 -0.009537 -0.684583 -0.162360 -0.257247 0.026178 -0.035174 -0.047374 -0.299229 -0.171164 0.380754 -0.056114 -0.065563 0.039684 -0.009399 -0.014735 -0.050566 -0.002343 0.012736 0.021790 -0.049635 0.010372 0.182516 -0.043334 0.304221 -0.386350 -0.017900 -0.003282 0.018435 0.024489 0.072058 -0.033354 0.706268 0.435988 -0.609270 -0.020115 -0.007919 0.067981 0.206007 0.543947 0.906048 0.113567 -0.037010 0.128654 0.102247 0.173699 -0.491357 -0.046556 0.036890 0.029029 0.067941 0.105575 -0.003403 -0.074416 0.114758 0.432686 0.006667 0.024954 -0.017040 -0.118565 -0.044802 0.047401 0.247248 -0.131980 -0.518527 -0.052879 -0.116903 -0.035971 -0.080467 -0.112443 -0.564497 -0.031057 -0.067777 0.066879 0.010230 0.021668 0.059743 -0.234680 -0.050106 0.297563 -0.010145 0.006068 0.042943 0.150168 -0.071499 0.223992 -0.105796 0.067246 0.295139 0.024470 -0.002157 0.035784 -0.072998 -0.010509 0.032358 -0.030796 -0.032593 0.065342 -0.137809 -0.196141 0.524621 -0.065196 -0.014953 0.081659 0.003343 0.064341 -0.020125 0.058137 -0.002691 -0.283697 -0.216974 0.104591 -0.363373 0.103137 0.018420 0.026750 0.042765 -0.040791 0.105243 -0.039498 0.036078 0.065100 0.264441 0.206747 0.494541 -0.029829 -0.072027 0.102475 -0.004310 0.009234 -0.038533 0.089001 -0.131343 -0.902695 0.031306 -0.068550 -0.036852 0.032462 0.094399 0.182565 0.009538 0.001721 0.022445 0.000208 0.009536 0.048310 -0.032488 -0.049470 0.030310 0.000686 -0.019803 0.000085 -0.006416 0.160514 -0.058443 -0.031267 -0.035326 -0.002410 0.078162 0.149149 -0.046811 0.019232 -0.031230 0.000366 -0.170220 -0.001771 -0.033991 -0.055146 0.022153 -0.015951 0.023993 -0.031559 -0.007922 0.020328 -0.067923 0.041447 0.015670 0.044823 0.063302 -0.005223 -0.038727 0.028666 0.004470 0.039554 0.053210 0.263880 0.222259 -0.265073 0.025238 0.063044 0.028411 0.438574 0.111318 -0.343540 0.010542 -0.027653 0.016991 0.190781 0.016716 -0.334887 0.003898 -0.012992 -0.006000 -0.035669 0.023437 0.028849 -0.181048 -0.271519 -0.067202 -0.002662 -0.019203 -0.133977 -0.042849 0.096182 0.544410 -0.218226 -0.420296 0.410396 0.009303 0.034615 0.076591 -0.397759 -0.518728 -0.088185 -0.008501 0.073182 0.044379 -0.051468 -0.244067 -0.030087 -0.004338 -0.036763 -0.027178 0.005481 0.001009 0.078699 0.195159 -0.050286 -0.447936 0.029119 0.028051 0.095921 0.110336 0.017369 -0.008125 -0.682779 -0.162699 -0.261066 0.018960 -0.032242 -0.024401 -0.292818 -0.156513 0.374101 -0.052365 -0.046590 0.055221 -0.010250 -0.013685 -0.050464 -0.004541 0.013070 0.012063 -0.018186 0.007416 0.181613 -0.043941 0.304597 -0.388416 -0.011808 -0.004219 0.015137 0.011490 0.041385 -0.019327 0.704439 0.432567 -0.612804 -0.023178 -0.001143 0.060883 0.199599 0.541667 0.907394 0.086191 -0.052122 0.105391 0.103501 0.173821 -0.495979 -0.028525 0.024734 0.038348 0.039969 0.071629 0.002465 -0.074027 0.113877 0.434616 0.001328 0.019133 -0.003296 -0.078652 -0.018333 0.035024 0.456730 -0.241894 -1.461080 -0.055187 -0.112200 -0.042056 -0.073152 -0.101604 -0.566323 0.030557 0.057334 0.098093 0.008433 -0.019998 0.071151 -0.235048 -0.050043 0.299509 -0.030673 -0.026885 0.065244 0.151766 -0.070384 0.230446 -0.109668 0.065542 0.297634 0.041846 0.033734 0.018342 0.097694 -0.003741 0.035296 0.007703 -0.019785 0.042120 -0.139494 -0.186436 0.519033 0.021395 0.009388 0.073654 -0.030698 -0.017862 -0.016263 0.056021 -0.012237 -0.287655 -0.212819 0.105613 -0.366274 -0.020610 0.011435 0.008122 0.025455 -0.019792 0.083534 0.026155 -0.009963 0.030733 0.264285 0.209980 0.493641 -0.015156 -0.017840 0.074641 -0.016086 -0.010380 -0.008471 0.086809 -0.134772 -0.905328 0.024074 -0.061884 -0.038269 0.028670 0.090851 0.165360 0.014146 0.017937 0.012725 0.055425 0.027022 0.057418 -0.046000 -0.048102 0.034674 0.008242 -0.016797 0.011673 0.001375 0.153587 -0.071272 -0.010742 0.000797 0.030337 0.079761 0.146039 -0.050286 -0.013137 0.030379 0.018113 -0.172656 -0.002075 -0.036750 0.025544 0.000540 0.018662 0.023742 -0.033214 0.012237 -0.043735 -0.053971 0.033205 -0.016370 -0.044167 -0.068386 -0.019415 -0.011437 0.008720 -0.030414 0.033597 0.049221 0.239290 0.223361 -0.281629 0.019113 0.042336 0.012973 0.444340 0.088454 -0.358015 0.018016 0.026146 0.002543 0.191526 0.014663 -0.337204 -0.015895 -0.012589 0.007951 -0.014835 -0.063681 0.030661 -0.181877 -0.272582 -0.069557 0.026524 -0.010789 0.051605 -0.297932 0.194632 1.502783 -0.189024 -0.410712 0.417343 -0.009026 0.029314 0.056451 -0.405545 -0.509098 -0.074128 -0.001876 0.016740 0.034349 -0.053487 -0.245168 -0.029477 0.017843 -0.029600 -0.010537 0.016273 0.015633 0.068106 0.196432 -0.047676 -0.463682 -0.005756 0.012071 0.090669 -0.113561 -0.004365 0.003225 -0.680775 -0.162719 -0.270825 0.002141 -0.037449 0.012213 -0.257292 -0.129749 0.365569 -0.028676 -0.011732 0.078779 -0.014618 -0.011990 -0.051898 -0.010949 0.021176 0.012814 0.048918 0.060973 0.163805 -0.046584 0.305552 -0.393986 0.012104 -0.007260 0.021471 -0.002536 -0.010856 0.002482 0.701544 0.423929 -0.620371 -0.023494 0.010369 0.044798 0.163104 0.534900 0.909723 0.027443 -0.073372 0.054542 0.110639 0.172151 -0.475032 -0.001409 0.032178 0.030941 -0.015347 0.014277 0.009874 -0.073115 0.110856 0.436305 -0.024467 0.011447 0.021707 -0.011939 0.023917 0.017534 0.312978 -0.165940 -0.799574 -0.053199 -0.116319 -0.036369 -0.078671 -0.110634 -0.565015 -0.012994 -0.032808 0.077077 0.003314 0.002515 0.063396 -0.234533 -0.050452 0.298439 -0.015989 -0.004036 0.050197 0.150586 -0.071415 0.225046 -0.107481 0.067261 0.296558 0.029631 0.005469 0.024377 -0.029763 -0.006998 0.032525 -0.018963 -0.029768 0.058931 -0.138504 -0.198080 0.525390 -0.040781 -0.006799 0.072969 -0.002428 0.042001 -0.021761 0.059852 -0.002085 -0.284348 -0.215916 0.104814 -0.361175 0.069036 0.018874 0.020814 0.032671 -0.023286 0.099062 -0.023685 0.021961 0.054206 0.264540 0.208497 0.494890 -0.022953 -0.058024 0.091983 -0.008057 0.003919 -0.030572 0.088716 -0.132579 -0.903470 0.030482 -0.067632 -0.035742 0.030339 0.093560 0.185353 0.011570 0.005932 0.018259 0.000686 0.011052 0.049081 -0.037235 -0.047601 0.029130 0.002560 -0.020189 0.007627 -0.004663 0.159829 -0.060996 -0.027810 -0.023985 0.006063 0.079425 0.150688 -0.046604 0.012064 -0.015287 0.006416 -0.168456 -0.001565 -0.033459 -0.031796 0.016830 -0.006000 0.023935 -0.031752 -0.001538 0.000809 -0.065711 0.038573 0.007546 0.018736 0.022728 -0.008891 -0.031893 0.023779 -0.002558 0.039353 0.053447 0.257615 0.222489 -0.269631 0.021229 0.056285 0.025407 0.439923 0.104631 -0.347451 0.013208 -0.011808 0.013390 0.190748 0.016117 -0.334732 -0.002038 -0.011128 -0.002139 -0.032709 0.024998 0.030335 -0.180852 -0.271624 -0.066780 0.004698 -0.017486 -0.075186 -0.140645 0.129244 0.832934 -0.210576 -0.418238 0.412431 0.003608 0.033551 0.070496 -0.399608 -0.517676 -0.083758 -0.006225 0.054004 0.038579 -0.051217 -0.244525 -0.030348 0.003502 -0.020469 -0.021939 0.009777 0.005947 0.075719 0.195650 -0.051066 -0.453209 0.015487 0.020539 0.087870 0.086465 0.008449 -0.001844 -0.682902 -0.162772 -0.262443 0.014963 -0.032197 -0.011662 -0.293941 -0.148794 0.369899 -0.051101 -0.035309 0.062408 -0.009880 -0.012989 -0.049555 -0.005091 0.012495 0.003353 0.000331 -0.000004 0.181866 -0.044093 0.304985 -0.390808 -0.012337 -0.006273 0.016175 0.005140 0.023978 -0.010005 0.705123 0.430851 -0.615096 -0.026079 0.001693 0.055965 0.200934 0.542013 0.907965 0.073170 -0.058426 0.088435 0.103141 0.174198 -0.502744 -0.018170 0.014945 0.046985 0.023799 0.054000 0.004288 -0.073808 0.114369 0.436940 0.000314 0.015883 0.001018 -0.052964 -0.001336 0.027182 0.292772 -0.154057 -0.726607 -0.053477 -0.115195 -0.038252 -0.077822 -0.108834 -0.565614 -0.003615 -0.017364 0.078783 0.004392 -0.001532 0.064079 -0.234654 -0.050385 0.298248 -0.017680 -0.008209 0.049602 0.150682 -0.071225 0.225917 -0.108069 0.066798 0.296499 0.031709 0.009491 0.023173 -0.011685 -0.006380 0.035521 -0.014361 -0.027407 0.055198 -0.138584 -0.196586 0.523500 -0.029524 -0.004328 0.075057 -0.009243 0.030591 -0.019793 0.058959 -0.003911 -0.285105 -0.215632 0.104941 -0.362124 0.053515 0.018083 0.018247 0.031908 -0.021352 0.094432 -0.014044 0.017057 0.048804 0.264505 0.208633 0.494262 -0.022290 -0.046895 0.091756 -0.008635 0.001000 -0.026297 0.088314 -0.133159 -0.904365 0.029144 -0.066557 -0.036981 0.030270 0.092847 0.181435 0.010732 0.007450 0.017937 0.009597 0.013247 0.050696 -0.037304 -0.046702 0.030388 0.003638 -0.019129 0.006877 -0.003518 0.158516 -0.063583 -0.023746 -0.020079 0.010137 0.079509 0.150001 -0.047633 0.007103 -0.007077 0.007875 -0.168916 -0.001856 -0.034567 -0.021562 0.014308 -0.000865 0.023705 -0.032104 0.000607 -0.007344 -0.063496 0.036286 0.003081 0.008138 0.005770 -0.010161 -0.028781 0.021978 -0.008068 0.037341 0.052996 0.254317 0.222287 -0.271909 0.023266 0.047087 0.022595 0.440926 0.101577 -0.349488 0.013941 -0.004786 0.012337 0.190898 0.015675 -0.335450 -0.003609 -0.011629 -0.000564 -0.031119 0.010579 0.030399 -0.180948 -0.272004 -0.067562 0.005972 -0.016127 -0.057611 -0.116851 0.114174 0.763595 -0.206703 -0.416716 0.412899 0.000988 0.032707 0.069608 -0.400936 -0.515684 -0.082797 -0.006438 0.049241 0.038176 -0.051797 -0.244837 -0.029955 0.004797 -0.030201 -0.019898 0.010064 0.006569 0.075772 0.195646 -0.050166 -0.455155 0.011762 0.018412 0.094803 0.057475 0.007528 -0.001252 -0.681842 -0.162647 -0.264617 0.011294 -0.026281 -0.007535 -0.286721 -0.145485 0.369005 -0.049477 -0.032893 0.065277 -0.011119 -0.012776 -0.050441 -0.005577 0.014412 0.002580 0.005847 0.009142 0.183136 -0.044496 0.305115 -0.390902 -0.007087 -0.005685 0.017719 0.004621 0.019070 -0.007918 0.703996 0.429068 -0.615427 -0.024625 0.002505 0.053946 0.193290 0.540018 0.907655 0.067049 -0.060158 0.086241 0.104550 0.174057 -0.499987 -0.015870 0.024772 0.045813 0.018304 0.049035 0.005465 -0.073925 0.113389 0.436522 -0.005133 0.014623 0.003829 -0.048331 0.001192 0.026822 0.230799 -0.115068 -0.476987 -0.055521 -0.117498 -0.036469 -0.075659 -0.106251 -0.561884 0.014897 0.026020 0.087699 -0.002973 -0.025243 0.069351 -0.234182 -0.051865 0.300028 -0.024115 -0.024495 0.055911 0.152489 -0.071114 0.226899 -0.108998 0.066150 0.297443 0.037834 0.015841 0.008753 0.028987 -0.005394 0.041771 0.001137 -0.019303 0.046500 -0.140607 -0.201532 0.526451 0.003996 0.011460 0.054515 -0.006011 0.006347 -0.026941 0.062761 -0.003073 -0.286755 -0.212634 0.106344 -0.357847 0.003504 0.017669 0.007851 0.015841 0.000595 0.094468 0.000805 -0.006902 0.034922 0.264411 0.210103 0.494321 -0.014284 -0.015416 0.082637 -0.016319 -0.005331 -0.014411 0.087441 -0.134168 -0.906028 0.028041 -0.065082 -0.034877 0.025578 0.093758 0.189338 0.017945 0.014127 0.011089 0.013917 0.014137 0.055635 -0.048006 -0.047307 0.026700 0.005921 -0.020103 0.022560 -0.002202 0.156563 -0.067602 -0.021470 -0.002246 0.017669 0.080279 0.152313 -0.047520 0.000035 0.012805 0.012577 -0.165412 -0.001329 -0.032951 0.010476 0.005943 0.007248 0.024652 -0.034099 0.009622 -0.032086 -0.057302 0.034900 -0.001646 -0.027118 -0.043881 -0.014717 -0.016706 0.009237 -0.018071 0.034041 0.056145 0.242366 0.223225 -0.277200 0.020700 0.070716 0.022426 0.443146 0.094775 -0.354388 0.016700 0.020039 0.009169 0.191206 0.014737 -0.335783 -0.011141 -0.006599 0.007759 -0.026674 0.004898 0.030379 -0.180934 -0.272295 -0.067651 0.019674 -0.010348 0.019507 -0.075020 0.067105 0.506796 -0.191809 -0.413486 0.416942 -0.007698 0.027968 0.062315 -0.403652 -0.516551 -0.075979 -0.002590 0.028072 0.034295 -0.051596 -0.245715 -0.031596 0.014504 0.017379 -0.010576 0.013209 0.017272 0.070311 0.196234 -0.049197 -0.461783 -0.004630 0.013025 0.090116 0.016747 -0.004193 0.002698 -0.686944 -0.163445 -0.265202 0.008681 -0.056640 0.011830 -0.291970 -0.138114 0.363985 -0.060206 -0.022535 0.075095 -0.011717 -0.012208 -0.049718 -0.008251 0.013133 -0.009775 0.023077 0.004449 0.180716 -0.044730 0.305287 -0.394247 -0.014212 -0.006592 0.013732 -0.008472 -0.006069 0.001225 0.708382 0.427227 -0.619814 -0.024305 0.007836 0.048215 0.198480 0.542406 0.909065 0.065280 -0.065977 0.061730 0.104900 0.174374 -0.516456 -0.004693 -0.012370 0.068867 -0.003827 0.018079 0.009611 -0.073296 0.111596 0.438992 0.001543 0.009972 0.005799 -0.013296 0.018495 0.020507 0.100383 -0.036612 0.037472 -0.055445 -0.109688 -0.043878 -0.071689 -0.098455 -0.563135 0.064287 0.117461 0.102323 -0.007375 -0.055270 0.073408 -0.234730 -0.050514 0.301102 -0.033560 -0.041973 0.073001 0.152729 -0.070180 0.233021 -0.113550 0.065348 0.300243 0.045621 0.041235 -0.002373 0.126982 -0.001871 0.056095 0.033690 -0.002536 0.029335 -0.140755 -0.201503 0.522460 0.071766 0.028199 0.053340 -0.038360 -0.066259 -0.026387 0.062724 -0.005975 -0.294019 -0.211688 0.106092 -0.355156 -0.094871 0.018344 -0.011207 0.009705 0.018986 0.078273 0.058245 -0.034749 0.005693 0.264559 0.213431 0.494248 -0.006050 0.052843 0.065217 -0.021307 -0.020505 0.012447 0.085579 -0.137105 -0.907917 0.023420 -0.061252 -0.037332 0.023180 0.089882 0.182602 0.015658 0.024549 0.004189 0.061009 0.026122 0.064141 -0.055011 -0.042602 0.029472 0.012961 -0.015988 0.021958 0.004319 0.152777 -0.077714 0.000121 0.024602 0.038176 0.082674 0.154139 -0.049209 -0.029126 0.063151 0.022517 -0.163589 -0.001736 -0.034092 0.074233 -0.009858 0.033526 0.023164 -0.034373 0.025052 -0.081203 -0.045696 0.022536 -0.027078 -0.094553 -0.138400 -0.025008 0.004809 -0.005375 -0.047847 0.023127 0.062928 0.224807 0.224310 -0.288238 0.016416 0.034128 0.008860 0.447916 0.071965 -0.366850 0.020655 0.059131 0.006010 0.191766 0.013580 -0.337576 -0.026768 -0.005853 0.022648 -0.007578 -0.062854 0.028528 -0.180617 -0.272393 -0.068878 0.039875 -0.004516 0.171721 0.055407 -0.031440 -0.019569 -0.170872 -0.405680 0.423075 -0.026008 0.017319 0.047662 -0.409521 -0.507453 -0.064306 -0.000617 -0.019932 0.030205 -0.053065 -0.246744 -0.030638 0.028786 -0.013093 0.009189 0.016725 0.036834 0.054001 0.196702 -0.045955 -0.475493 -0.030314 -0.000509 0.074863 -0.155833 -0.020948 0.017616 -0.682566 -0.163516 -0.274507 -0.004473 -0.048356 0.041042 -0.277617 -0.113819 0.354859 -0.059515 0.009700 0.088271 -0.014881 -0.010906 -0.050677 -0.013830 0.016035 -0.028489 0.071819 0.043193 0.176028 -0.045907 0.305895 -0.396112 0.011193 -0.003461 0.023876 -0.019148 -0.057554 0.016660 0.704921 0.419555 -0.622342 -0.022932 0.017526 0.031898 0.182721 0.536198 0.912259 0.031800 -0.076284 0.026728 0.108132 0.174698 -0.524373 0.016314 0.026669 0.086030 -0.048473 -0.039226 0.021103 -0.073517 0.108808 0.440690 -0.024410 0.001617 0.027691 0.043741 0.047486 0.007953 0.091358 -0.030384 0.075858 -0.054713 -0.112730 -0.040028 -0.071651 -0.098000 -0.561747 0.059325 0.108575 0.091144 -0.011630 -0.059222 0.069533 -0.234444 -0.051391 0.301600 -0.028806 -0.037956 0.067972 0.152994 -0.070033 0.232639 -0.113690 0.065193 0.300668 0.041330 0.035210 -0.005975 0.113936 0.001095 0.052840 0.031958 -0.001416 0.026981 -0.140985 -0.200778 0.523183 0.067374 0.028726 0.046547 -0.032181 -0.058826 -0.017516 0.062988 -0.007207 -0.293073 -0.212173 0.106895 -0.354748 -0.089971 0.015663 -0.006494 0.004511 0.027866 0.074704 0.049613 -0.035119 0.005979 0.264906 0.213693 0.494474 -0.003225 0.048472 0.062048 -0.020023 -0.019099 0.013712 0.085891 -0.137205 -0.907888 0.024144 -0.060107 -0.034395 0.024171 0.091631 0.185184 0.015637 0.021442 0.003880 0.046717 0.021770 0.062430 -0.048315 -0.036681 0.029415 0.010603 -0.014528 0.027423 0.005119 0.152144 -0.074565 0.000034 0.024334 0.038213 0.083316 0.154043 -0.049451 -0.024210 0.056092 0.021768 -0.163232 -0.001429 -0.034465 0.069051 -0.008206 0.033759 0.023069 -0.035085 0.025512 -0.077353 -0.042954 0.020344 -0.021324 -0.086826 -0.129911 -0.022011 0.004867 -0.003184 -0.043251 0.019884 0.059860 0.224804 0.223629 -0.286539 0.013938 0.022017 0.011196 0.447805 0.073806 -0.364720 0.018759 0.056843 0.005349 0.192207 0.012971 -0.336620 -0.025061 -0.003652 0.024342 -0.009533 -0.040486 0.029102 -0.180738 -0.272854 -0.067747 0.039105 -0.002783 0.164765 0.049024 -0.036985 -0.059257 -0.170329 -0.404564 0.425449 -0.026718 0.013271 0.045632 -0.408940 -0.508013 -0.062585 0.001601 -0.020002 0.030379 -0.053054 -0.246648 -0.029874 0.028142 0.015490 0.008674 0.016869 0.032687 0.053503 0.197420 -0.046555 -0.476345 -0.029493 -0.000404 0.073455 -0.114856 -0.024221 0.021213 -0.683464 -0.162347 -0.273909 -0.007169 -0.040209 0.042227 -0.274024 -0.116335 0.355781 -0.061064 0.008363 0.084445 -0.014381 -0.010325 -0.049710 -0.013602 0.011701 -0.033274 0.062023 0.024023 0.180506 -0.046333 0.306322 -0.397326 0.004775 -0.002251 0.021487 -0.022710 -0.052491 0.018304 0.705463 0.419127 -0.625430 -0.020934 0.017043 0.035347 0.179185 0.536924 0.913412 0.029201 -0.070235 0.026996 0.108303 0.174759 -0.524116 0.016722 0.001360 0.082070 -0.045889 -0.039825 0.024045 -0.072322 0.109377 0.442143 -0.017005 0.000132 0.026150 0.047413 0.048927 0.007246 0.063747 -0.013446 0.178715 -0.052964 -0.113704 -0.037690 -0.073104 -0.097747 -0.560091 0.039673 0.081619 0.069996 -0.005431 -0.051103 0.061602 -0.234565 -0.051623 0.300530 -0.011026 -0.017221 0.060663 0.153005 -0.069939 0.232936 -0.114850 0.064813 0.299509 0.027219 0.026007 0.007304 0.094958 0.006073 0.045432 0.026391 0.003674 0.023329 -0.141248 -0.202352 0.521153 0.054716 0.020477 0.046508 -0.030438 -0.049919 0.001128 0.062950 -0.009242 -0.293574 -0.216188 0.107921 -0.356245 -0.075369 0.009420 0.004539 0.006063 0.023582 0.072483 0.044265 -0.025465 0.004820 0.264760 0.214462 0.493613 -0.001610 0.042527 0.053977 -0.015780 -0.013652 0.018384 0.084720 -0.137840 -0.908868 0.024595 -0.058258 -0.031173 0.026422 0.093996 0.184898 0.011142 0.014205 0.004309 0.049112 0.019700 0.065771 -0.035263 -0.029182 0.031183 0.004383 -0.009046 0.022874 0.006479 0.151656 -0.069687 0.005556 0.020312 0.032500 0.084104 0.155500 -0.052111 -0.019108 0.038101 0.013514 -0.161558 -0.001149 -0.037428 0.051980 -0.005473 0.028804 0.021637 -0.036758 0.024492 -0.065334 -0.034372 0.020613 -0.003468 -0.062411 -0.099533 -0.016591 0.004818 -0.002850 -0.040099 0.010319 0.054646 0.225923 0.222717 -0.281223 0.013471 0.021914 0.013465 0.446673 0.072335 -0.360848 0.011211 0.042451 0.005468 0.192751 0.013033 -0.337543 -0.017826 -0.001072 0.028645 -0.008003 -0.049539 0.026730 -0.181136 -0.272734 -0.067493 0.037177 0.003351 0.138518 0.075411 -0.060276 -0.157118 -0.171151 -0.398358 0.431254 -0.023702 0.008313 0.039974 -0.407812 -0.505928 -0.059527 0.003938 -0.014106 0.033912 -0.053920 -0.246595 -0.030459 0.023106 0.003547 0.011032 0.016979 0.016322 0.055350 0.197856 -0.045095 -0.481976 -0.026266 0.002537 0.071272 -0.109899 -0.023311 0.030722 -0.681021 -0.160694 -0.275367 -0.010925 -0.043223 0.040570 -0.268937 -0.117224 0.357970 -0.073604 0.010985 0.078713 -0.015214 -0.010647 -0.049965 -0.011927 0.004320 -0.042024 0.051899 0.032941 0.189457 -0.047195 0.306187 -0.397396 0.010145 -0.000168 0.021855 -0.020017 -0.033248 0.018562 0.703494 0.414091 -0.627178 -0.014796 0.012518 0.035042 0.171891 0.535895 0.914812 0.030914 -0.057149 0.031115 0.109366 0.173999 -0.531463 0.014751 0.012831 0.085357 -0.037937 -0.036622 0.029249 -0.071833 0.107516 0.441945 -0.019432 -0.004658 0.026228 0.041713 0.043563 0.011386 0.008829 0.021288 0.396116 -0.049835 -0.117301 -0.028695 -0.076310 -0.096666 -0.554945 0.007510 0.015888 0.030917 0.002938 -0.037234 0.044511 -0.234422 -0.052814 0.300623 0.016008 0.016168 0.055974 0.153273 -0.069354 0.234956 -0.117052 0.064104 0.299554 0.001054 0.007134 0.026806 0.050407 0.017612 0.032353 0.015306 0.012083 0.017601 -0.141855 -0.207348 0.521690 0.028042 0.005388 0.041625 -0.020529 -0.028180 0.036720 0.064698 -0.011498 -0.292005 -0.223037 0.110405 -0.356631 -0.046427 -0.001812 0.027319 0.002854 0.023767 0.068198 0.029210 -0.008715 0.005363 0.264540 0.215839 0.493805 0.002000 0.030233 0.035153 -0.006991 -0.001528 0.029042 0.082140 -0.138808 -0.909930 0.026847 -0.053780 -0.022090 0.029733 0.099033 0.193564 0.003832 0.002149 0.006718 0.039095 0.012159 0.068208 -0.013143 -0.014249 0.035078 -0.007943 0.001181 0.017901 0.008881 0.150882 -0.057188 0.013090 0.013032 0.021799 0.085979 0.160447 -0.055297 -0.008352 0.004397 0.005007 -0.156019 -0.000274 -0.040930 0.019480 0.000371 0.021230 0.019432 -0.039430 0.024986 -0.040497 -0.021292 0.016681 0.033614 -0.019052 -0.038960 -0.006635 0.004949 -0.000378 -0.028452 -0.011800 0.045168 0.228741 0.219652 -0.268095 0.002470 0.020536 0.020664 0.444892 0.077450 -0.350358 -0.009108 0.016519 0.001888 0.193213 0.013232 -0.337253 0.000489 0.009408 0.039177 -0.002468 -0.036975 0.023014 -0.181593 -0.272862 -0.064822 0.027544 0.018519 0.077728 0.114193 -0.105379 -0.366989 -0.172685 -0.389230 0.446353 -0.018583 -0.006278 0.016169 -0.406011 -0.498997 -0.051522 0.013366 -0.005437 0.038522 -0.054409 -0.245981 -0.029403 0.008562 0.006098 0.016712 0.016666 -0.016864 0.048398 0.198848 -0.043797 -0.489225 -0.021086 0.002903 0.048675 -0.052069 -0.023319 0.050956 -0.679855 -0.155636 -0.276515 -0.018533 -0.053326 0.037496 -0.265862 -0.127349 0.363365 -0.092205 0.015885 0.053591 -0.014527 -0.010982 -0.048699 -0.007754 -0.009498 -0.059690 0.016869 0.023388 0.194447 -0.048006 0.306625 -0.400038 0.014580 0.004349 0.020802 -0.017101 0.006977 0.023923 0.701901 0.407979 -0.634302 0.000605 0.007827 0.040093 0.164916 0.530972 0.918443 0.027689 -0.015326 0.036644 0.108680 0.172759 -0.553227 0.010147 0.005714 0.081405 -0.020286 -0.032747 0.048527 -0.070832 0.106475 0.441763 -0.013730 -0.017357 0.029349 0.041041 0.036700 0.014416 -0.100529 0.089962 0.850756 -0.043980 -0.124928 -0.012122 -0.082360 -0.094249 -0.544775 -0.053168 -0.121064 -0.059356 0.019943 -0.008793 -0.000713 -0.234456 -0.055298 0.300264 0.069330 0.077979 0.043308 0.153546 -0.068520 0.238382 -0.121535 0.062554 0.298615 -0.053773 -0.031975 0.063808 -0.038332 0.037607 0.005233 -0.006351 0.031699 0.004993 -0.143028 -0.213831 0.520128 -0.021960 -0.023398 0.031450 -0.005104 0.012776 0.108710 0.066179 -0.018682 -0.291119 -0.236963 0.115453 -0.361836 0.012837 -0.025707 0.070854 -0.005628 0.022488 0.052611 0.000700 0.022203 0.005625 0.264028 0.218022 0.493336 0.006391 0.004207 0.002503 0.009524 0.019615 0.048766 0.077167 -0.140683 -0.911032 0.029867 -0.045102 -0.005615 0.037602 0.108788 0.202932 -0.012809 -0.024281 0.011362 0.019049 -0.005346 0.072091 0.045850 0.021977 0.041417 -0.032216 0.021440 0.008695 0.013991 0.149528 -0.035602 0.029203 0.000518 -0.001965 0.089255 0.167494 -0.062572 0.011348 -0.061416 -0.014873 -0.147837 0.001350 -0.048546 -0.047372 0.010985 0.007262 0.014574 -0.045569 0.025221 0.006663 0.010030 0.008953 0.105548 0.072970 0.084568 0.015786 0.004903 0.004236 -0.005151 -0.049015 0.025316 0.234359 0.214395 -0.243214 -0.020121 -0.002487 0.029674 0.441120 0.084961 -0.330813 -0.041556 -0.038813 0.002121 0.194604 0.013289 -0.337489 0.034910 0.029526 0.055439 0.009133 -0.018112 0.012741 -0.183342 -0.273200 -0.060763 0.007781 0.040646 -0.037126 0.190078 -0.183167 -0.807996 -0.176948 -0.369378 0.474442 -0.012218 -0.037945 -0.027845 -0.402302 -0.486307 -0.036834 0.028786 0.011832 0.052351 -0.056747 -0.244928 -0.027974 -0.018197 0.008719 0.024219 0.017974 -0.075017 0.049812 0.201158 -0.040721 -0.505390 -0.001369 0.014102 0.029671 0.055028 -0.023015 0.095863 -0.676642 -0.147006 -0.279399 -0.035703 -0.055364 0.032743 -0.252460 -0.143657 0.374187 -0.102265 0.025182 0.010299 -0.014959 -0.011650 -0.047072 -0.002821 -0.038208 -0.080660 -0.043688 0.008496 0.201167 -0.051132 0.307019 -0.404152 0.020307 0.016338 0.022867 -0.012545 0.082083 0.030483 0.697084 0.393060 -0.646120 0.023896 -0.002644 0.051650 0.143498 0.521297 0.926208 0.011815 0.057902 0.051595 0.109082 0.170277 -0.585652 0.005807 -0.000418 0.070374 0.014777 -0.021200 0.079759 -0.068011 0.103036 0.440438 -0.008948 -0.040058 0.036800 0.034947 0.024441 0.022324 -0.076454 0.077480 0.737712 -0.043431 -0.125359 -0.011157 -0.083009 -0.093864 -0.543630 -0.056823 -0.126290 -0.064924 0.020828 -0.005836 -0.002796 -0.234377 -0.055475 0.299878 0.072606 0.082558 0.041432 0.153727 -0.068348 0.238316 -0.121902 0.062414 0.298219 -0.057128 -0.034105 0.065963 -0.041081 0.038483 0.001495 -0.007921 0.032747 0.003806 -0.143055 -0.213957 0.519559 -0.024818 -0.024995 0.030228 -0.004712 0.016140 0.112201 0.066360 -0.019281 -0.291166 -0.237781 0.115837 -0.363250 0.017069 -0.027524 0.072624 -0.005666 0.021145 0.050115 -0.001502 0.023504 0.005468 0.264017 0.218252 0.492911 0.006728 -0.000296 -0.001156 0.010600 0.020834 0.049707 0.076855 -0.140800 -0.911583 0.030262 -0.044402 -0.004718 0.038228 0.109532 0.202831 -0.014009 -0.025510 0.011537 0.017350 -0.006461 0.071656 0.049922 0.024596 0.041416 -0.033440 0.023219 0.007769 0.014381 0.149366 -0.034717 0.030512 -0.000279 -0.003989 0.089604 0.167986 -0.063502 0.012243 -0.065230 -0.016390 -0.147210 0.001548 -0.049506 -0.051187 0.011636 0.006704 0.014242 -0.045969 0.024979 0.010153 0.012284 0.008575 0.108024 0.077639 0.092878 0.016818 0.005965 0.004451 -0.003386 -0.051843 0.023155 0.234230 0.213705 -0.241932 -0.020355 -0.002139 0.030017 0.441125 0.084931 -0.329871 -0.043713 -0.042112 0.002185 0.194863 0.013095 -0.337829 0.035351 0.030040 0.056833 0.009714 -0.020633 0.011987 -0.183426 -0.273470 -0.060835 0.007931 0.041625 -0.042955 0.162186 -0.171314 -0.691052 -0.176455 -0.368163 0.476025 -0.011770 -0.039062 -0.029673 -0.402081 -0.485303 -0.035968 0.028932 0.013870 0.054738 -0.056922 -0.244847 -0.028052 -0.019142 0.006312 0.024617 0.019428 -0.078232 0.052077 0.201387 -0.040819 -0.506632 -0.000570 0.013471 0.030258 0.057532 -0.021950 0.099081 -0.676524 -0.146000 -0.280121 -0.035195 -0.059539 0.032319 -0.250007 -0.143941 0.374672 -0.102345 0.025685 0.011265 -0.014810 -0.011398 -0.047369 -0.002456 -0.039183 -0.080858 -0.046281 0.010352 0.202948 -0.051595 0.307386 -0.404707 0.020008 0.016887 0.023853 -0.012128 0.086245 0.029933 0.697024 0.392206 -0.646803 0.024920 -0.003354 0.051740 0.140691 0.520494 0.926395 0.011304 0.060375 0.052162 0.109138 0.170165 -0.587454 0.005115 0.001358 0.071133 0.016279 -0.020379 0.083290 -0.067449 0.103241 0.440106 -0.008026 -0.040537 0.036602 0.032456 0.023590 0.024771 -0.008000 0.041611 0.411330 -0.041777 -0.126969 -0.007644 -0.084154 -0.093702 -0.539903 -0.068248 -0.144976 -0.077421 0.022635 0.001013 -0.008396 -0.234364 -0.056086 0.299086 0.082528 0.091895 0.036619 0.153936 -0.068115 0.238412 -0.123069 0.062206 0.297473 -0.065938 -0.040175 0.070713 -0.050433 0.040449 -0.009366 -0.013752 0.036425 0.000387 -0.143014 -0.214865 0.518561 -0.033414 -0.030038 0.026673 -0.001075 0.025420 0.124433 0.066931 -0.020358 -0.290645 -0.240395 0.117245 -0.366605 0.030274 -0.032329 0.079442 -0.006979 0.017443 0.042571 -0.008455 0.028543 0.004511 0.263952 0.218548 0.492114 0.009250 -0.013737 -0.011468 0.011939 0.023755 0.052703 0.075243 -0.141247 -0.912041 0.030796 -0.043017 -0.001382 0.039987 0.111772 0.203437 -0.017303 -0.029829 0.012972 0.009197 -0.010675 0.071011 0.062863 0.033469 0.041248 -0.037298 0.027307 0.006887 0.015978 0.149753 -0.031446 0.034146 -0.003236 -0.009074 0.090530 0.169724 -0.066003 0.016349 -0.076904 -0.019341 -0.145373 0.002042 -0.051604 -0.063051 0.013820 0.005041 0.013207 -0.047378 0.024786 0.022893 0.019414 0.006302 0.117040 0.093055 0.118051 0.022506 0.005609 0.004380 0.002867 -0.056452 0.018181 0.233597 0.212124 -0.236392 -0.023488 -0.013703 0.031703 0.440006 0.086124 -0.325694 -0.048424 -0.053881 0.002742 0.195373 0.013195 -0.338324 0.037051 0.031368 0.059086 0.009535 -0.013708 0.013797 -0.183898 -0.273489 -0.060594 0.004124 0.045823 -0.064354 0.072777 -0.131526 -0.356761 -0.175555 -0.362650 0.482122 -0.011928 -0.042358 -0.037135 -0.400593 -0.481086 -0.032082 0.030978 0.017904 0.057475 -0.057496 -0.244633 -0.028465 -0.022521 0.005928 0.026309 0.024225 -0.088719 0.050456 0.202326 -0.040547 -0.510626 0.000399 0.016441 0.028857 0.082003 -0.023531 0.109284 -0.674777 -0.143700 -0.279759 -0.037764 -0.057763 0.030661 -0.245835 -0.146171 0.377288 -0.097942 0.027025 0.008279 -0.014467 -0.011442 -0.047412 -0.001374 -0.044180 -0.080558 -0.058790 0.007116 0.201815 -0.052301 0.307482 -0.406426 0.018635 0.017700 0.023873 -0.012039 0.099091 0.030765 0.695225 0.387781 -0.649619 0.029858 -0.006760 0.052593 0.135013 0.516885 0.927698 0.007086 0.072019 0.058539 0.109265 0.169445 -0.592343 0.004508 0.003600 0.071459 0.021762 -0.018723 0.091814 -0.066659 0.103315 0.438622 -0.006747 -0.043252 0.037889 0.029900 0.021028 0.028435 0.115608 -0.023768 -0.197149 -0.038933 -0.129544 0.002522 -0.088654 -0.092954 -0.530702 -0.090982 -0.188677 -0.103742 0.027321 0.013968 -0.023009 -0.233756 -0.057175 0.299978 0.096437 0.113476 0.034929 0.154637 -0.067406 0.240998 -0.125233 0.061658 0.298373 -0.083724 -0.054392 0.085646 -0.066339 0.043948 -0.028296 -0.025802 0.044328 -0.003722 -0.143682 -0.219500 0.519347 -0.052510 -0.040440 0.020744 0.010237 0.042097 0.146263 0.069014 -0.021195 -0.287017 -0.245298 0.119113 -0.372359 0.054723 -0.037643 0.092076 -0.011411 0.014314 0.036440 -0.023091 0.039346 0.003969 0.263743 0.220459 0.492831 0.014089 -0.040276 -0.032322 0.015280 0.030407 0.061660 0.072327 -0.142027 -0.911208 0.033499 -0.039800 0.006783 0.042890 0.115564 0.214174 -0.021344 -0.036691 0.018462 -0.004077 -0.017676 0.070699 0.083918 0.047004 0.044271 -0.043958 0.035430 0.003724 0.017190 0.150121 -0.020342 0.037177 -0.009350 -0.016219 0.092387 0.174270 -0.067709 0.024205 -0.101111 -0.023780 -0.139950 0.003132 -0.053198 -0.086505 0.015430 0.001317 0.011505 -0.049357 0.026948 0.048493 0.035066 0.007345 0.137631 0.122946 0.171983 0.030486 0.008890 0.006821 0.015531 -0.067752 0.010515 0.237615 0.207219 -0.223464 -0.034843 -0.019821 0.034023 0.438517 0.090822 -0.314961 -0.060992 -0.077309 -0.002626 0.196046 0.013512 -0.337604 0.048668 0.037805 0.063857 0.016672 -0.000222 0.009328 -0.184563 -0.273548 -0.057654 -0.006909 0.056559 -0.114864 -0.095604 -0.057792 0.288370 -0.177446 -0.353015 0.499602 -0.003447 -0.053567 -0.060608 -0.398511 -0.474959 -0.021834 0.035252 0.019089 0.054758 -0.058392 -0.243789 -0.027061 -0.031766 0.009236 0.029933 0.028199 -0.113449 0.037966 0.203653 -0.038798 -0.519706 0.004666 0.015050 0.011391 0.129422 -0.020137 0.124806 -0.673266 -0.137096 -0.279414 -0.043341 -0.060405 0.023677 -0.240836 -0.153254 0.385982 -0.089639 0.033396 -0.017045 -0.014932 -0.011525 -0.046369 0.003960 -0.054564 -0.070936 -0.086165 -0.006995 0.176605 -0.053607 0.308231 -0.408312 0.020101 0.018668 0.022970 -0.009312 0.124336 0.034644 0.693145 0.381117 -0.654787 0.041938 -0.013110 0.054003 0.126800 0.512365 0.932644 -0.002588 0.103307 0.063938 0.109565 0.168743 -0.615325 -0.002944 -0.002533 0.064007 0.035168 -0.009310 0.104193 -0.065118 0.101742 0.438691 -0.002154 -0.049136 0.041032 0.023906 0.008900 0.028106 0.114417 -0.023841 -0.201930 -0.038317 -0.129169 0.003009 -0.089371 -0.093190 -0.527456 -0.085157 -0.179247 -0.097923 0.026442 0.018756 -0.024495 -0.233797 -0.057277 0.299299 0.090840 0.106765 0.032985 0.154903 -0.067344 0.240998 -0.125756 0.061510 0.298175 -0.081286 -0.052496 0.084359 -0.062680 0.040363 -0.026953 -0.025772 0.043641 -0.003777 -0.143793 -0.219524 0.518381 -0.049166 -0.037493 0.019575 0.009965 0.040715 0.142222 0.069139 -0.021169 -0.285752 -0.244858 0.119052 -0.374968 0.053163 -0.036584 0.088348 -0.009622 0.011448 0.033038 -0.022375 0.036875 0.002429 0.263722 0.220737 0.492053 0.014398 -0.040199 -0.034469 0.014488 0.028237 0.061945 0.071959 -0.142353 -0.911668 0.033579 -0.040329 0.006919 0.042886 0.115582 0.214305 -0.021340 -0.033697 0.019966 -0.004208 -0.017772 0.069849 0.080957 0.046606 0.044029 -0.042938 0.035826 0.003708 0.017753 0.150265 -0.020715 0.037344 -0.008809 -0.015566 0.092664 0.174727 -0.068684 0.023819 -0.096786 -0.021736 -0.139419 0.003178 -0.053774 -0.083378 0.014834 0.003296 0.011298 -0.049286 0.027368 0.052445 0.036033 0.009143 0.129257 0.116501 0.168659 0.029869 0.009089 0.006286 0.012408 -0.064709 0.011737 0.235924 0.206005 -0.223322 -0.032757 -0.020315 0.034225 0.438596 0.089583 -0.314565 -0.058751 -0.074947 -0.002862 0.196219 0.013196 -0.337987 0.047292 0.037507 0.063848 0.016890 -0.003529 0.008108 -0.185047 -0.273994 -0.057923 -0.008169 0.055306 -0.110648 -0.094829 -0.056073 0.293166 -0.175321 -0.351232 0.501263 -0.003424 -0.053111 -0.056790 -0.398298 -0.473721 -0.020119 0.034752 0.016375 0.051923 -0.058710 -0.243903 -0.027072 -0.030448 0.006109 0.030971 0.031836 -0.108733 0.038297 0.204262 -0.038334 -0.521300 0.003664 0.013401 0.010812 0.122665 -0.021264 0.123288 -0.673011 -0.135896 -0.279814 -0.045590 -0.061362 0.022479 -0.234855 -0.151137 0.386515 -0.085753 0.034880 -0.009402 -0.015566 -0.011236 -0.046607 0.004060 -0.052174 -0.066715 -0.079954 -0.004279 0.175858 -0.054580 0.308659 -0.408822 0.019220 0.015700 0.024109 -0.007640 0.120808 0.033392 0.692890 0.379371 -0.655733 0.041573 -0.012195 0.052500 0.120503 0.511057 0.932167 -0.005265 0.098133 0.064506 0.110133 0.168862 -0.617461 -0.004435 0.001146 0.064441 0.031747 -0.010398 0.103892 -0.064244 0.101429 0.438493 -0.001471 -0.046788 0.039538 0.021412 0.007628 0.031139 0.110592 -0.023846 -0.217031 -0.036751 -0.128226 0.006186 -0.091705 -0.094040 -0.517102 -0.065132 -0.143143 -0.082835 0.026540 0.025028 -0.023566 -0.233715 -0.057733 0.298379 0.078485 0.085918 0.027957 0.155583 -0.067150 0.241538 -0.127343 0.061020 0.298482 -0.074476 -0.047851 0.081992 -0.053799 0.029887 -0.022284 -0.027481 0.041415 -0.002457 -0.144171 -0.221113 0.517036 -0.040553 -0.028857 0.015504 0.011050 0.037988 0.130689 0.070288 -0.019506 -0.280750 -0.243964 0.118610 -0.381841 0.047716 -0.033819 0.075093 -0.007313 0.005636 0.024887 -0.022327 0.029458 -0.003955 0.263488 0.221829 0.490932 0.015973 -0.041375 -0.040104 0.010766 0.021652 0.064037 0.069386 -0.143427 -0.911903 0.034172 -0.041734 0.008677 0.042598 0.115474 0.218614 -0.019909 -0.025751 0.024488 -0.007122 -0.018433 0.068445 0.073623 0.043782 0.043431 -0.038049 0.035409 0.005635 0.018721 0.150966 -0.019555 0.036060 -0.007597 -0.011183 0.093462 0.176785 -0.070297 0.021275 -0.084856 -0.015823 -0.137022 0.003339 -0.054355 -0.073789 0.012624 0.009358 0.010804 -0.049159 0.029884 0.062024 0.040512 0.015634 0.105622 0.095960 0.160905 0.027541 0.009473 0.006474 0.005491 -0.057423 0.017095 0.232769 0.200969 -0.220522 -0.029602 -0.024591 0.034183 0.437981 0.086565 -0.311417 -0.051676 -0.069985 -0.004577 0.196489 0.012709 -0.338246 0.041553 0.030161 0.062188 0.018301 -0.003872 0.009327 -0.185739 -0.274495 -0.058046 -0.012173 0.053233 -0.097518 -0.099284 -0.050025 0.314381 -0.171240 -0.345187 0.509523 -0.000636 -0.047531 -0.046965 -0.397060 -0.470296 -0.012285 0.031988 0.007627 0.044163 -0.059461 -0.244068 -0.027149 -0.026089 0.002482 0.032636 0.035565 -0.093076 0.031518 0.205308 -0.037001 -0.527736 0.001003 0.005483 0.000088 0.108448 -0.022424 0.117066 -0.670886 -0.131103 -0.278277 -0.044187 -0.055921 0.017628 -0.225428 -0.146343 0.390883 -0.066454 0.042526 -0.004626 -0.017129 -0.010925 -0.047352 0.004932 -0.044961 -0.049269 -0.071584 -0.005373 0.159869 -0.056143 0.309211 -0.410405 0.014063 0.007248 0.025855 -0.008501 0.105443 0.031050 0.690797 0.373677 -0.658225 0.043305 -0.010519 0.044841 0.110159 0.507431 0.933302 -0.012240 0.091265 0.063265 0.111789 0.168232 -0.627226 -0.005482 0.004738 0.062255 0.023414 -0.012743 0.100639 -0.063059 0.100245 0.437740 0.002605 -0.039859 0.036243 0.016942 0.003329 0.034890 0.104522 -0.024586 -0.245412 -0.034051 -0.128018 0.015602 -0.097177 -0.095989 -0.496252 -0.040236 -0.074190 -0.054677 0.022933 0.033899 -0.014293 -0.232834 -0.059822 0.298234 0.049975 0.043753 0.018714 0.157490 -0.066842 0.242965 -0.130228 0.059964 0.299737 -0.058956 -0.041237 0.074552 -0.038462 0.008096 -0.012552 -0.029084 0.036842 -0.000098 -0.145730 -0.226827 0.516965 -0.023548 -0.009012 0.005964 0.020029 0.033370 0.104778 0.074287 -0.015065 -0.269741 -0.240983 0.118327 -0.396806 0.037818 -0.028040 0.049190 -0.008485 -0.001474 0.011815 -0.026544 0.016984 -0.015031 0.263132 0.223932 0.489473 0.021337 -0.042164 -0.052293 0.001305 0.009121 0.068683 0.065122 -0.145532 -0.912098 0.036792 -0.044351 0.013365 0.041261 0.115102 0.234491 -0.014404 -0.009918 0.035770 -0.020923 -0.022649 0.064731 0.056429 0.039560 0.041136 -0.028741 0.033166 0.010726 0.018672 0.152633 -0.015769 0.028071 -0.004245 -0.003519 0.095425 0.181903 -0.071975 0.019761 -0.063812 -0.001500 -0.130438 0.004009 -0.054205 -0.054627 0.006165 0.019965 0.010548 -0.049245 0.035891 0.080541 0.050965 0.030648 0.057622 0.056470 0.145499 0.024880 0.010274 0.007432 -0.004901 -0.041270 0.027521 0.225571 0.190305 -0.214487 -0.024298 -0.020206 0.037602 0.437335 0.085692 -0.304151 -0.037039 -0.056773 -0.008094 0.196948 0.011513 -0.337877 0.027780 0.020975 0.057748 0.023551 0.010676 0.006939 -0.187238 -0.276278 -0.056737 -0.019561 0.047065 -0.073233 -0.119199 -0.032013 0.350583 -0.160435 -0.334863 0.528436 0.003242 -0.035476 -0.032712 -0.395010 -0.464116 0.004683 0.030242 -0.018257 0.024526 -0.060385 -0.244563 -0.027100 -0.017046 0.009170 0.038035 0.039850 -0.056078 0.014946 0.207782 -0.036240 -0.539244 -0.008256 -0.010438 -0.023930 0.106112 -0.023639 0.098677 -0.669864 -0.121394 -0.273989 -0.045102 -0.051922 0.010273 -0.209492 -0.141527 0.401132 -0.015849 0.053964 -0.006728 -0.018777 -0.010276 -0.047266 0.009595 -0.033333 -0.003188 -0.061605 -0.017444 0.129801 -0.058495 0.310781 -0.416034 0.004596 -0.012331 0.024992 -0.009205 0.067048 0.028187 0.689673 0.364825 -0.663105 0.045011 -0.008378 0.038859 0.092854 0.500816 0.936834 -0.027559 0.075729 0.053210 0.113087 0.167802 -0.654960 -0.008656 -0.005480 0.062867 0.006179 -0.019322 0.086532 -0.060523 0.099472 0.437948 0.011911 -0.024064 0.026115 0.014677 -0.001670 0.036282 0.091271 -0.026314 -0.311139 -0.028653 -0.127763 0.034013 -0.106637 -0.098323 -0.456319 0.024771 0.056492 0.015093 0.023392 0.045549 0.006442 -0.230940 -0.063208 0.297345 -0.006265 -0.040848 0.002600 0.161300 -0.065700 0.243704 -0.135633 0.058742 0.300763 -0.029394 -0.027925 0.061285 -0.010356 -0.035990 0.003558 -0.032451 0.027860 0.003939 -0.148182 -0.234537 0.516259 0.012580 0.030049 -0.018128 0.041476 0.025898 0.056055 0.082307 -0.008207 -0.248364 -0.235170 0.119083 -0.432933 0.015482 -0.014580 -0.001022 -0.011347 -0.012581 -0.018137 -0.036353 -0.015991 -0.035122 0.262607 0.228241 0.486135 0.031179 -0.044556 -0.076811 -0.016438 -0.014568 0.077625 0.057137 -0.148981 -0.912558 0.041556 -0.047891 0.021904 0.040555 0.114783 0.257612 -0.003648 0.023178 0.057135 -0.055319 -0.034851 0.057933 0.024071 0.034626 0.034286 -0.009899 0.031781 0.027154 0.018748 0.155951 -0.011229 0.010010 0.004542 0.010014 0.099271 0.190614 -0.075533 0.018773 -0.019913 0.025515 -0.119333 0.005994 -0.055141 -0.017641 -0.009739 0.041890 0.010472 -0.049255 0.046771 0.116463 0.069135 0.056464 -0.040969 -0.021978 0.113798 0.020679 0.016261 0.006618 -0.025860 -0.007318 0.039739 0.210262 0.171375 -0.201545 -0.014020 -0.031889 0.045072 0.435072 0.083591 -0.289494 -0.008096 -0.031424 -0.013159 0.198027 0.009791 -0.337000 0.003807 0.006685 0.046177 0.032428 0.050851 0.008067 -0.189565 -0.278458 -0.054317 -0.033945 0.037967 -0.023641 -0.162304 0.007536 0.433632 -0.137592 -0.316105 0.562723 0.015624 -0.013387 0.003524 -0.389856 -0.451665 0.036813 0.017081 -0.062343 -0.016333 -0.061760 -0.244723 -0.028149 0.000747 0.038668 0.047660 0.052272 0.009556 -0.012605 0.212405 -0.034329 -0.560977 -0.023586 -0.040141 -0.069752 0.115209 -0.029828 0.069136 -0.664216 -0.102932 -0.263254 -0.043442 -0.032538 -0.007219 -0.171366 -0.130519 0.422045 0.065279 0.070372 0.008054 -0.021243 -0.008081 -0.046809 0.015992 -0.016134 0.094672 -0.036794 -0.046305 0.042863 -0.063081 0.313941 -0.426313 -0.026714 -0.044732 0.024481 -0.009142 -0.016167 0.023612 0.684039 0.350069 -0.670337 0.051149 -0.003506 0.014711 0.051564 0.488849 0.945704 -0.069770 0.046600 0.042408 0.115513 0.167474 -0.698419 -0.010353 -0.036841 0.051640 -0.027073 -0.030758 0.057697 -0.055055 0.098662 0.437438 0.033621 0.004732 0.011744 0.005275 -0.021678 0.040238 -0.071473 0.077842 0.587943 -0.029985 -0.124970 0.034513 -0.107710 -0.099341 -0.447595 0.027000 0.047373 0.019418 0.027821 0.038275 0.012797 -0.231178 -0.062914 0.296238 -0.003106 -0.039667 -0.002929 0.161944 -0.065586 0.244746 -0.135921 0.058469 0.301683 -0.028024 -0.022782 0.046900 -0.012192 -0.034732 0.015891 -0.020932 0.015774 0.010733 -0.149364 -0.235060 0.513873 0.013438 0.025257 -0.004543 0.029317 0.005650 0.041462 0.080340 -0.006168 -0.241926 -0.232063 0.115963 -0.424355 -0.000168 -0.006981 -0.004840 -0.003876 -0.013475 -0.010791 -0.018867 -0.015656 -0.028515 0.261970 0.229309 0.484596 0.026460 -0.009578 -0.056142 -0.007087 -0.015365 0.075690 0.055246 -0.149659 -0.913758 0.040891 -0.050131 0.022839 0.039348 0.113193 0.260619 -0.006752 0.018965 0.049323 -0.028419 -0.022697 0.062768 0.015062 0.029894 0.033978 -0.004441 0.025182 0.019360 0.019664 0.155884 -0.010964 0.007816 0.003982 0.012638 0.098550 0.191834 -0.076555 0.008556 -0.004498 0.020812 -0.118390 0.005726 -0.055616 -0.005597 -0.012743 0.040331 0.011178 -0.046371 0.051675 0.090970 0.060997 0.057570 -0.046722 -0.018442 0.081562 0.016029 0.014901 0.006926 -0.030249 -0.012505 0.041922 0.207523 0.169087 -0.202778 -0.008990 -0.024390 0.044398 0.436013 0.078373 -0.286126 -0.006383 -0.031259 -0.001962 0.197382 0.009252 -0.337618 0.003329 0.002203 0.038833 0.032460 0.020056 0.009284 -0.190973 -0.279240 -0.055269 -0.032169 0.025298 0.007213 0.044431 -0.113413 -0.487440 -0.137230 -0.312729 0.563010 0.011661 -0.012597 0.018233 -0.391080 -0.452951 0.038171 0.012795 -0.055644 -0.014471 -0.062379 -0.245043 -0.028636 -0.002638 0.010800 0.044782 0.043984 0.020641 -0.016028 0.213013 -0.032832 -0.562315 -0.015751 -0.032167 -0.064257 0.054325 -0.025673 0.061854 -0.663849 -0.101874 -0.263336 -0.040375 -0.027840 0.000251 -0.163546 -0.123006 0.424803 0.068888 0.060931 0.018966 -0.024057 -0.007696 -0.047650 0.008593 -0.007942 0.087119 -0.020723 -0.020581 0.025217 -0.064918 0.315006 -0.427325 -0.013007 -0.032190 0.026324 -0.001459 -0.028757 0.021649 0.683895 0.345849 -0.666788 0.041198 -0.000854 0.017939 0.043490 0.489682 0.948032 -0.062867 0.042597 0.035161 0.117566 0.167146 -0.705850 -0.000359 -0.010335 0.035635 -0.033761 -0.032596 0.052448 -0.054632 0.097378 0.438942 0.020224 0.004472 0.003113 0.011295 -0.012311 0.036196 -0.024985 0.047062 0.328081 -0.029633 -0.126206 0.035587 -0.107247 -0.099762 -0.449000 0.025308 0.049607 0.019512 0.027033 0.040437 0.011880 -0.231286 -0.063342 0.297277 -0.004280 -0.040746 -0.000381 0.161750 -0.065743 0.245003 -0.136053 0.058422 0.302177 -0.027968 -0.024585 0.051108 -0.012908 -0.035284 0.012939 -0.024436 0.019068 0.009399 -0.149601 -0.236360 0.515641 0.012374 0.026695 -0.010221 0.035732 0.012095 0.044132 0.081132 -0.006248 -0.242896 -0.232779 0.116464 -0.425683 0.004378 -0.008351 -0.003952 -0.007316 -0.012371 -0.010159 -0.025329 -0.015967 -0.029851 0.262085 0.229410 0.485823 0.028163 -0.019692 -0.062111 -0.010649 -0.014557 0.076389 0.055815 -0.149571 -0.912584 0.040820 -0.050035 0.023839 0.039466 0.113573 0.263430 -0.004783 0.020805 0.052525 -0.037174 -0.026723 0.060540 0.016399 0.028699 0.033651 -0.006486 0.026224 0.022919 0.019293 0.156194 -0.009520 0.007227 0.003982 0.011871 0.098818 0.191965 -0.075383 0.012176 -0.009704 0.022873 -0.118159 0.005882 -0.054415 -0.009361 -0.012082 0.040401 0.010887 -0.047235 0.051374 0.098089 0.063112 0.058295 -0.043673 -0.019905 0.090931 0.017614 0.015219 0.006325 -0.029174 -0.011232 0.042546 0.209214 0.169874 -0.202345 -0.010901 -0.018460 0.044747 0.435562 0.080670 -0.286633 -0.006003 -0.029029 -0.003554 0.197366 0.009283 -0.336655 0.003455 0.002930 0.037866 0.032563 0.031416 0.010899 -0.190848 -0.279030 -0.054253 -0.032094 0.026626 0.000259 -0.011587 -0.080393 -0.232684 -0.138609 -0.312905 0.563246 0.012960 -0.012802 0.016118 -0.390669 -0.454499 0.038211 0.013175 -0.056641 -0.014939 -0.062139 -0.245055 -0.028126 -0.002034 0.024839 0.043670 0.043707 0.018123 -0.014620 0.212824 -0.033381 -0.562268 -0.016702 -0.032806 -0.065527 0.072244 -0.026344 0.061397 -0.666263 -0.102707 -0.262363 -0.039243 -0.032920 -0.002256 -0.166304 -0.125633 0.424491 0.062369 0.060362 0.015538 -0.023350 -0.007904 -0.046243 0.009728 -0.009653 0.087208 -0.023059 -0.029852 0.024934 -0.064593 0.314579 -0.427382 -0.018177 -0.033987 0.024302 -0.003844 -0.024677 0.023533 0.685883 0.346403 -0.668192 0.042070 -0.000939 0.017134 0.045812 0.491285 0.948373 -0.057260 0.043123 0.034227 0.116555 0.167372 -0.707902 -0.002336 -0.023744 0.038300 -0.030493 -0.031369 0.051623 -0.054717 0.097379 0.439899 0.024851 0.005080 0.002977 0.009608 -0.013831 0.036674 -0.017840 0.032121 0.259723 -0.031897 -0.125292 0.037472 -0.106840 -0.101336 -0.442695 0.020617 0.018387 0.013463 0.021933 0.019700 0.013572 -0.230915 -0.063057 0.296371 0.004866 -0.027452 -0.008992 0.162587 -0.065828 0.244163 -0.135204 0.058446 0.303176 -0.028199 -0.020956 0.024509 0.002934 -0.024737 0.011727 -0.007437 0.004799 0.017691 -0.149813 -0.236191 0.514508 0.008692 0.016310 0.005292 0.022128 -0.005134 0.031917 0.078845 -0.003363 -0.235202 -0.228761 0.113549 -0.408016 -0.012722 -0.001477 -0.000035 -0.004685 -0.002414 0.000653 -0.007951 -0.015896 -0.017568 0.262079 0.229289 0.484452 0.026703 -0.001262 -0.044051 0.001737 -0.013403 0.071012 0.055047 -0.149954 -0.913631 0.040977 -0.052631 0.025804 0.038242 0.112753 0.266536 -0.007407 0.009838 0.036626 -0.021165 -0.014735 0.065466 0.011616 0.026050 0.030753 -0.000921 0.016665 0.018955 0.020683 0.156468 -0.009967 0.004768 0.004785 0.013000 0.098034 0.192372 -0.075664 0.003579 0.002552 0.015975 -0.117535 0.005486 -0.054277 0.001896 -0.013738 0.037190 0.012718 -0.043754 0.057188 0.057785 0.049730 0.054259 -0.037462 -0.006230 0.054268 0.012012 0.012824 0.008147 -0.024635 -0.018798 0.034934 0.205178 0.168338 -0.203768 -0.007649 -0.012331 0.047350 0.437167 0.076037 -0.282566 -0.006431 -0.027997 0.005984 0.196929 0.008686 -0.337345 0.003509 -0.000249 0.028979 0.027222 0.014442 0.012552 -0.191246 -0.279676 -0.055521 -0.025880 0.014013 0.030088 -0.015355 -0.062907 -0.163493 -0.137306 -0.312547 0.562013 0.009053 -0.014338 0.024745 -0.391750 -0.455275 0.037416 0.010014 -0.044456 -0.006373 -0.061655 -0.245226 -0.029620 -0.006989 0.015921 0.036553 0.037144 0.018217 -0.012786 0.213501 -0.033253 -0.559673 -0.006931 -0.018155 -0.056357 0.033576 -0.020794 0.052998 -0.664190 -0.102615 -0.260676 -0.036021 -0.021129 0.014924 -0.162689 -0.118711 0.426991 0.059761 0.047174 0.025887 -0.024222 -0.007373 -0.046965 0.001735 -0.004693 0.067444 -0.012327 -0.025252 0.018313 -0.065334 0.315468 -0.428410 -0.011894 -0.015402 0.023999 0.002982 -0.028173 0.025299 0.684884 0.345140 -0.663518 0.029697 -0.000171 0.020593 0.044364 0.491466 0.951064 -0.049732 0.038678 0.029119 0.117753 0.167244 -0.710001 0.009999 -0.012621 0.023274 -0.031691 -0.028392 0.045194 -0.054282 0.097790 0.441250 0.017388 0.001234 -0.007688 0.022624 -0.002594 0.034030 -0.000426 -0.013779 0.057802 -0.039067 -0.122939 0.046938 -0.106416 -0.106320 -0.421423 0.003944 -0.076520 0.000142 0.015412 -0.046366 0.019170 -0.230254 -0.062863 0.296039 0.029713 0.007674 -0.027483 0.165062 -0.065732 0.243759 -0.133359 0.058643 0.308577 -0.027308 -0.008089 -0.049912 0.045434 0.005958 0.011075 0.041006 -0.035671 0.043872 -0.152237 -0.239080 0.514258 -0.006233 -0.015304 0.050849 -0.010011 -0.058002 -0.001257 0.072578 0.005822 -0.209636 -0.216566 0.104179 -0.353678 -0.065937 0.020378 0.010981 0.001157 0.029244 0.041625 0.038470 -0.015328 0.019328 0.261435 0.230724 0.483063 0.023586 0.053015 0.010336 0.039494 -0.008317 0.053905 0.052145 -0.150819 -0.914919 0.041206 -0.060522 0.034780 0.033787 0.110552 0.285546 -0.012513 -0.019985 -0.004782 0.029816 0.022257 0.076161 -0.005192 0.012758 0.021828 0.013229 -0.012417 0.008692 0.023716 0.157758 -0.006741 -0.007978 0.005829 0.017201 0.095683 0.195976 -0.073527 -0.020946 0.038701 -0.001426 -0.113693 0.005027 -0.051602 0.037157 -0.019179 0.025038 0.017858 -0.032884 0.077357 -0.058475 0.005062 0.044046 -0.015513 0.028712 -0.046518 -0.003525 0.007692 0.011533 -0.014306 -0.042403 0.015527 0.196646 0.164065 -0.208060 0.008149 0.023152 0.037904 0.441977 0.064381 -0.268768 -0.004892 -0.019196 0.039243 0.194788 0.006925 -0.336914 0.002244 -0.009888 -0.010282 0.013075 -0.037228 0.020977 -0.192916 -0.281132 -0.056808 -0.006360 -0.027701 0.125434 -0.011685 -0.005985 0.008953 -0.139170 -0.308267 0.561438 0.000967 -0.020720 0.053980 -0.395888 -0.461286 0.037152 0.000649 -0.000833 0.013269 -0.060159 -0.245939 -0.032644 -0.025019 -0.017609 0.013609 0.006940 0.024317 -0.005930 0.214621 -0.032744 -0.553755 0.026222 0.025650 -0.023550 -0.091702 -0.000345 0.019216 -0.662544 -0.102771 -0.253711 -0.012318 0.007268 0.068168 -0.147856 -0.097560 0.435897 0.048240 0.002243 0.060418 -0.027419 -0.005270 -0.046173 -0.025423 0.009117 0.006232 0.027874 -0.012439 -0.013332 -0.067425 0.318348 -0.431574 0.007861 0.040459 0.012275 0.026057 -0.038428 0.030847 0.685179 0.339668 -0.647737 -0.019827 0.000916 0.029876 0.034676 0.496265 0.961821 -0.009850 0.020142 0.005170 0.120002 0.168259 -0.726413 0.045585 0.017668 -0.037382 -0.033674 -0.021444 0.022644 -0.053902 0.098489 0.448761 -0.011141 -0.007199 -0.041539 0.055483 0.033211 0.014762 0.016043 -0.035140 -0.070963 -0.038018 -0.123688 0.049570 -0.108150 -0.109340 -0.426363 -0.005507 -0.036676 0.004228 0.010699 -0.024498 0.018511 -0.230444 -0.062812 0.294368 0.018617 0.008689 -0.018846 0.165563 -0.065923 0.243249 -0.132961 0.058693 0.308441 -0.010682 -0.000720 -0.032302 0.028526 0.008486 0.017939 0.030368 -0.028547 0.038997 -0.153172 -0.239093 0.512717 -0.003075 -0.018569 0.046000 -0.015979 -0.030120 -0.004170 0.069840 0.005623 -0.204187 -0.218762 0.102737 -0.342213 -0.031374 0.014612 0.015958 0.006683 0.012389 0.036652 0.024986 -0.005221 0.017044 0.261229 0.231053 0.481627 0.018413 0.025824 0.011713 0.017578 -0.010464 0.041948 0.051788 -0.151139 -0.915144 0.042277 -0.061041 0.038904 0.036704 0.111792 0.284798 -0.009767 -0.018682 -0.001127 0.029711 0.017119 0.068646 -0.008745 0.007342 0.020573 0.011611 -0.013985 0.006151 0.024435 0.159284 -0.002581 -0.003871 -0.000918 0.017876 0.095017 0.196075 -0.075145 -0.017347 0.025170 0.003536 -0.113827 0.005036 -0.054329 0.018186 -0.006868 0.016256 0.016938 -0.031651 0.073264 -0.040553 0.000098 0.041917 -0.004989 0.016669 -0.022554 -0.003996 -0.005568 0.011842 -0.003502 -0.033456 0.017401 0.203271 0.162925 -0.202083 0.006557 0.021754 0.037333 0.440760 0.066540 -0.264094 -0.006785 -0.014983 0.035013 0.194739 0.006975 -0.337643 0.001011 -0.009043 -0.008541 0.011978 -0.039566 0.017304 -0.193224 -0.281084 -0.056877 -0.003302 -0.022586 0.084585 -0.014996 0.019586 0.138607 -0.149951 -0.307443 0.566824 -0.006764 -0.017354 0.036912 -0.395804 -0.462878 0.038285 0.004777 -0.008746 0.008359 -0.060449 -0.245535 -0.033977 -0.017094 -0.022334 0.009362 0.006119 0.007364 0.000186 0.214471 -0.031966 -0.552074 0.019564 0.015024 -0.018171 -0.081999 -0.002385 0.020437 -0.660611 -0.102057 -0.253403 0.000397 0.008222 0.059563 -0.144945 -0.101375 0.445607 0.038199 0.000366 0.048064 -0.027646 -0.005549 -0.046953 -0.014103 0.009116 -0.002840 0.020768 -0.001804 -0.005391 -0.068053 0.318195 -0.432446 0.009840 0.028103 0.013386 0.023968 -0.020176 0.031335 0.683736 0.338429 -0.648699 -0.006549 -0.002865 0.028597 0.030853 0.497630 0.959373 -0.006369 0.008701 0.010999 0.120078 0.167522 -0.727996 0.029901 0.022284 -0.031707 -0.017881 -0.011473 0.026084 -0.053794 0.097733 0.452510 -0.011921 -0.003362 -0.041516 0.040761 0.025521 0.025493 0.050824 -0.085218 -0.361200 -0.035729 -0.128034 0.061745 -0.110317 -0.116553 -0.436829 -0.020109 0.043276 0.013072 -0.007759 0.004487 0.018893 -0.229822 -0.064136 0.293786 -0.005702 0.008083 0.004747 0.166701 -0.066613 0.241816 -0.131807 0.059109 0.310293 0.029562 0.011290 -0.000105 -0.022895 0.016694 0.037076 0.004683 -0.011581 0.032674 -0.154479 -0.241076 0.514608 0.004890 -0.021763 0.035677 -0.023703 0.044093 -0.008143 0.066142 0.007431 -0.189083 -0.222720 0.100579 -0.311533 0.052822 -0.000150 0.028011 0.010940 -0.016360 0.027335 -0.012284 0.015190 0.012446 0.261326 0.231227 0.481488 0.011345 -0.042711 0.017122 -0.039786 -0.014941 0.010722 0.050987 -0.151562 -0.913446 0.045922 -0.061892 0.054740 0.042370 0.114806 0.290684 -0.001125 -0.015887 0.008356 0.001772 -0.002447 0.049714 -0.014975 -0.004798 0.014957 0.007716 -0.018097 0.010519 0.025414 0.163645 0.008903 0.002376 -0.010991 0.024045 0.094648 0.197936 -0.075438 -0.006724 -0.011157 0.016380 -0.111934 0.005460 -0.057359 -0.023156 0.019701 0.000875 0.016070 -0.029145 0.068290 0.004473 -0.011259 0.040894 0.021785 -0.010094 0.039480 -0.004556 -0.034055 0.018976 0.023325 -0.016546 0.027521 0.222245 0.158726 -0.185235 -0.006540 0.017549 0.015820 0.438724 0.081407 -0.246887 -0.008713 0.001907 0.023198 0.193897 0.006678 -0.336704 -0.005411 -0.005720 -0.006766 -0.001925 -0.002440 0.014730 -0.192988 -0.281135 -0.055576 0.009250 -0.013204 -0.026959 -0.040216 0.094407 0.423366 -0.178179 -0.307018 0.585563 -0.013473 0.001431 -0.019409 -0.395424 -0.464946 0.044042 0.014493 -0.016013 -0.000754 -0.058718 -0.244777 -0.035981 0.005999 -0.003928 -0.010112 -0.015213 -0.043436 0.011320 0.214396 -0.035300 -0.546332 0.004972 -0.007210 0.018013 0.015657 0.003878 -0.000480 -0.655891 -0.099502 -0.244749 0.042799 0.019077 0.031749 -0.150384 -0.120007 0.476195 -0.002405 -0.019589 -0.002061 -0.024236 -0.005524 -0.046212 0.012373 0.003932 -0.032525 -0.010164 -0.007057 -0.003913 -0.067709 0.318015 -0.437966 0.003947 -0.004482 0.005161 0.009276 0.029503 0.026514 0.681362 0.337378 -0.647085 0.021786 -0.008173 0.029016 0.035892 0.499520 0.955973 0.015502 -0.029291 0.022891 0.117738 0.166113 -0.731696 -0.019442 0.003008 -0.019410 0.033467 0.018297 0.019546 -0.053570 0.100662 0.459741 -0.004318 0.008686 -0.032707 -0.005368 -0.007361 0.043973 0.028066 -0.065411 -0.200668 -0.035055 -0.128299 0.063536 -0.110811 -0.118050 -0.440919 -0.021454 0.050993 0.014696 -0.010985 0.010688 0.020619 -0.229810 -0.064272 0.293364 -0.008857 0.006388 0.009638 0.166680 -0.066730 0.241652 -0.132203 0.059287 0.310469 0.034723 0.013473 0.007054 -0.033240 0.015621 0.042053 -0.000366 -0.008378 0.030918 -0.154776 -0.241430 0.514519 0.005873 -0.021583 0.030933 -0.025399 0.052476 -0.007912 0.065740 0.007512 -0.186471 -0.224126 0.100006 -0.307573 0.064581 -0.002277 0.027791 0.013408 -0.021861 0.025995 -0.016909 0.018582 0.010830 0.261262 0.231710 0.481272 0.009021 -0.046809 0.020037 -0.044617 -0.014480 0.005352 0.051335 -0.151810 -0.913222 0.046724 -0.062119 0.056991 0.043533 0.115162 0.291442 0.000081 -0.015228 0.010831 0.000151 -0.006650 0.046952 -0.015094 -0.006729 0.015046 0.006900 -0.018129 0.010746 0.025922 0.164543 0.010256 0.003649 -0.012401 0.023937 0.094802 0.198139 -0.075593 -0.004931 -0.016017 0.017552 -0.111730 0.005537 -0.058322 -0.028705 0.023302 -0.000600 0.015596 -0.028482 0.067462 0.013172 -0.013237 0.039095 0.024440 -0.013477 0.048063 -0.005353 -0.037323 0.020485 0.027228 -0.012847 0.028383 0.223992 0.158526 -0.183194 -0.006506 0.017242 0.012499 0.438609 0.080299 -0.245400 -0.007630 0.003557 0.022795 0.193853 0.006296 -0.336769 -0.006626 -0.005275 -0.006468 -0.003288 0.000967 0.012742 -0.193188 -0.281075 -0.055564 0.009334 -0.012287 -0.042043 -0.008832 0.073636 0.259687 -0.181612 -0.306997 0.588155 -0.015134 0.004930 -0.025815 -0.395593 -0.465711 0.044256 0.015621 -0.017505 -0.000543 -0.058504 -0.244972 -0.036375 0.008784 -0.007485 -0.012724 -0.015503 -0.046566 0.012235 0.214671 -0.035702 -0.546621 0.002630 -0.009053 0.022261 0.021827 0.003077 0.000050 -0.653800 -0.099436 -0.244796 0.046460 0.020173 0.025683 -0.148310 -0.119129 0.479273 -0.005752 -0.020240 -0.009148 -0.024049 -0.005090 -0.045657 0.014847 0.003268 -0.036247 -0.013568 -0.004485 -0.001315 -0.068209 0.318181 -0.438454 0.004971 -0.007062 0.006359 0.006928 0.032545 0.024714 0.680340 0.337363 -0.646298 0.024312 -0.010399 0.026604 0.033587 0.500393 0.955618 0.015042 -0.031099 0.023708 0.117286 0.166762 -0.732846 -0.024723 0.006220 -0.014540 0.038364 0.019509 0.018671 -0.053184 0.100929 0.462181 -0.003662 0.010021 -0.033300 -0.012252 -0.013716 0.049932 -0.005638 -0.035265 0.044395 -0.034580 -0.128314 0.065996 -0.112105 -0.120191 -0.444949 -0.023583 0.065228 0.017304 -0.012727 0.021595 0.020522 -0.229882 -0.064565 0.293346 -0.014237 0.006570 0.017190 0.167032 -0.066890 0.242677 -0.132700 0.059194 0.311430 0.042189 0.018238 0.020444 -0.045452 0.013879 0.048869 -0.007164 -0.003226 0.028167 -0.156027 -0.241785 0.514145 0.007686 -0.022120 0.026401 -0.027737 0.064709 -0.008517 0.064490 0.007321 -0.182004 -0.225652 0.098570 -0.300988 0.081155 -0.005610 0.028170 0.018027 -0.033338 0.024596 -0.022041 0.024147 0.009994 0.261128 0.232736 0.481147 0.004763 -0.052533 0.025112 -0.052245 -0.013754 -0.003519 0.051156 -0.152373 -0.912554 0.047389 -0.062079 0.060538 0.045151 0.115459 0.292165 0.002098 -0.013648 0.015044 0.003461 -0.011920 0.041509 -0.015437 -0.010208 0.014642 0.005701 -0.018124 0.008489 0.026686 0.165227 0.012748 0.006123 -0.015095 0.023851 0.094751 0.198216 -0.075684 -0.003378 -0.023040 0.019227 -0.111703 0.005566 -0.059289 -0.037370 0.029062 -0.002877 0.015051 -0.027687 0.066546 0.024635 -0.017018 0.036031 0.028676 -0.021165 0.059842 -0.006467 -0.041919 0.022911 0.030798 -0.008331 0.033164 0.228042 0.157476 -0.179194 -0.007814 0.016659 0.003995 0.438302 0.080445 -0.241729 -0.005742 0.008684 0.018646 0.193696 0.005667 -0.336651 -0.007180 -0.005457 -0.007931 -0.005212 -0.001681 0.010670 -0.193158 -0.281195 -0.055292 0.012563 -0.006987 -0.068262 0.044541 0.043329 0.004914 -0.188413 -0.307220 0.593055 -0.016868 0.012188 -0.034710 -0.395968 -0.468624 0.045412 0.015729 -0.019303 -0.003002 -0.058552 -0.245322 -0.036316 0.012052 -0.018611 -0.017597 -0.021577 -0.055461 0.014387 0.214506 -0.035502 -0.546725 -0.001243 -0.013062 0.028517 0.021812 0.005895 -0.004226 -0.654116 -0.098835 -0.244579 0.052859 0.020036 0.020055 -0.147607 -0.120562 0.486477 -0.011478 -0.024196 -0.017037 -0.024493 -0.004796 -0.045620 0.020698 0.003800 -0.040048 -0.016919 0.006094 -0.000218 -0.068625 0.318148 -0.439443 0.009444 -0.014352 0.004696 0.004117 0.039339 0.022766 0.681894 0.337174 -0.644958 0.027647 -0.012140 0.025036 0.032142 0.503473 0.955283 0.019146 -0.037918 0.023825 0.117645 0.166825 -0.733633 -0.034209 0.015847 -0.008050 0.047411 0.024899 0.018212 -0.053224 0.100421 0.467024 -0.008083 0.012400 -0.031393 -0.025787 -0.023093 0.057409 -0.007175 -0.032609 0.058553 -0.034886 -0.129768 0.067564 -0.110679 -0.119826 -0.446894 -0.018452 0.055849 0.017945 -0.015055 0.014464 0.019042 -0.229865 -0.064713 0.293553 -0.012909 0.002968 0.016514 0.166621 -0.066811 0.241612 -0.133123 0.059295 0.311355 0.039529 0.015794 0.015201 -0.046524 0.012620 0.045513 -0.005665 -0.003757 0.027372 -0.155700 -0.241374 0.515106 0.005819 -0.018060 0.018669 -0.021692 0.060982 -0.007534 0.065199 0.007659 -0.179946 -0.225788 0.099515 -0.301929 0.072038 -0.005612 0.026141 0.012811 -0.024621 0.024124 -0.023795 0.018390 0.010116 0.261213 0.232292 0.481330 0.006075 -0.047262 0.026209 -0.043142 -0.012100 -0.003656 0.050975 -0.152514 -0.912815 0.047121 -0.061559 0.061681 0.044515 0.115869 0.293241 0.003542 -0.014193 0.014125 -0.008340 -0.015377 0.039812 -0.012327 -0.008864 0.014464 0.005580 -0.017532 0.013476 0.027151 0.165031 0.011313 0.004205 -0.011688 0.021656 0.094812 0.198339 -0.075707 -0.001997 -0.022217 0.018565 -0.111675 0.005559 -0.059283 -0.033109 0.027103 -0.002227 0.015205 -0.027917 0.068218 0.021737 -0.016694 0.034242 0.026437 -0.019242 0.053501 -0.007592 -0.037911 0.022724 0.031429 -0.006547 0.031456 0.224853 0.157348 -0.178974 -0.008086 0.014610 0.005088 0.438120 0.080521 -0.241849 -0.005683 0.011699 0.019254 0.193673 0.005553 -0.336383 -0.006681 -0.004161 -0.007880 -0.007625 0.017058 0.014091 -0.192915 -0.281021 -0.055475 0.011578 -0.008398 -0.066645 0.033575 0.040707 -0.011512 -0.185141 -0.306705 0.592666 -0.015525 0.012463 -0.031589 -0.395921 -0.466804 0.045345 0.015684 -0.016310 -0.001031 -0.058386 -0.245311 -0.036721 0.015298 0.002783 -0.018356 -0.020410 -0.053624 0.015512 0.214573 -0.036585 -0.546420 -0.001423 -0.011584 0.031572 0.050290 0.005948 -0.002724 -0.651721 -0.098495 -0.242348 0.049534 0.021483 0.021224 -0.150407 -0.120493 0.486164 -0.011664 -0.027202 -0.015090 -0.023180 -0.004458 -0.045433 0.021152 0.002234 -0.040436 -0.018552 -0.010307 0.000706 -0.068442 0.318311 -0.440225 0.001623 -0.014054 0.001522 0.001495 0.034377 0.025780 0.679401 0.337076 -0.647048 0.023413 -0.012031 0.027270 0.035014 0.502191 0.956110 0.017096 -0.037283 0.024743 0.116600 0.166840 -0.731550 -0.034533 -0.004616 -0.007648 0.048091 0.024365 0.019598 -0.053434 0.102005 0.466786 -0.001024 0.011061 -0.031951 -0.022836 -0.022153 0.059461 -0.011215 -0.026982 0.086581 -0.035733 -0.127207 0.066195 -0.111176 -0.119158 -0.450796 -0.011129 0.025395 0.021229 -0.007540 0.011923 0.015385 -0.230069 -0.064134 0.293757 -0.008543 0.000718 0.019589 0.167060 -0.066530 0.243915 -0.134005 0.058990 0.311996 0.029273 0.016883 0.019422 -0.027407 0.005435 0.038759 -0.000775 -0.005537 0.027535 -0.156822 -0.240652 0.513857 0.002215 -0.014113 0.015943 -0.018579 0.034972 -0.007642 0.065519 0.007150 -0.175492 -0.225865 0.098475 -0.306003 0.046573 -0.002843 0.017252 0.017537 -0.025928 0.025991 -0.009825 0.014369 0.010564 0.261155 0.233428 0.481064 0.003197 -0.026116 0.028290 -0.013325 -0.006412 -0.000552 0.051033 -0.153510 -0.912872 0.046631 -0.060214 0.060905 0.044392 0.114369 0.292268 0.002275 -0.014882 0.016428 0.005486 -0.013440 0.036433 -0.006188 -0.008615 0.017410 0.006621 -0.015163 0.007654 0.028451 0.164187 0.008288 0.004576 -0.007912 0.015805 0.094868 0.197727 -0.075918 -0.006056 -0.011515 0.014387 -0.112235 0.005365 -0.059603 -0.020169 0.019887 0.000027 0.015441 -0.027349 0.071567 0.011864 -0.015842 0.031974 0.017088 -0.014319 0.032760 -0.011850 -0.026206 0.023253 0.023653 -0.005351 0.027777 0.219414 0.157749 -0.180383 -0.004391 0.014418 0.002150 0.439045 0.075077 -0.244345 -0.001710 0.010840 0.017751 0.193712 0.005346 -0.337555 -0.005184 -0.008077 -0.006754 -0.004634 0.000258 0.014209 -0.192959 -0.280844 -0.056683 0.010348 -0.008652 -0.047194 0.047841 0.025402 -0.039376 -0.178970 -0.307156 0.592409 -0.010010 0.012689 -0.017510 -0.396790 -0.465746 0.044362 0.009527 -0.004688 0.002912 -0.058716 -0.245506 -0.036721 0.012733 -0.018326 -0.015283 -0.020784 -0.036857 0.017544 0.214763 -0.034586 -0.548301 0.000286 -0.003501 0.032310 0.005627 0.005531 0.000022 -0.652093 -0.098681 -0.245587 0.033826 0.013834 0.016899 -0.149655 -0.115400 0.483782 -0.012878 -0.023476 -0.006300 -0.025184 -0.004333 -0.046828 0.012222 0.004818 -0.032956 -0.005752 0.008391 0.002227 -0.069013 0.318357 -0.441497 0.009845 -0.008471 0.006765 0.004232 0.015366 0.024617 0.681442 0.337306 -0.648703 0.009190 -0.014308 0.023327 0.033700 0.501786 0.959147 0.013188 -0.026504 0.019138 0.118554 0.166984 -0.732529 -0.023739 0.015080 -0.001427 0.039705 0.017632 0.017750 -0.053500 0.100519 0.469001 -0.008477 0.005369 -0.026046 -0.021165 -0.016985 0.060271 -0.019134 -0.014929 0.153410 -0.036795 -0.125998 0.068312 -0.110563 -0.119363 -0.458736 0.004732 -0.031565 0.025760 -0.004416 -0.004996 0.006717 -0.229972 -0.063882 0.295039 -0.000317 -0.010662 0.022851 0.166925 -0.066654 0.246138 -0.136418 0.059012 0.314334 0.010766 0.014336 0.016549 -0.000103 -0.007725 0.022613 0.008111 -0.009205 0.026323 -0.157174 -0.241130 0.514376 -0.005816 -0.003061 -0.000723 -0.001106 -0.008352 -0.005065 0.067968 0.006727 -0.165238 -0.226890 0.096170 -0.313109 -0.002937 -0.000488 -0.000194 0.014205 -0.012320 0.029065 0.006246 -0.000764 0.012757 0.261358 0.236321 0.482327 0.002195 0.012476 0.032148 0.043438 0.004780 0.002899 0.051148 -0.155167 -0.911349 0.046559 -0.058701 0.061934 0.044403 0.112499 0.295841 0.005500 -0.015449 0.018071 0.003469 -0.017451 0.028149 0.007073 -0.006012 0.018965 0.008698 -0.011519 0.008095 0.030817 0.163566 0.005561 -0.000438 0.003807 0.002612 0.096425 0.197778 -0.074261 -0.007706 0.003814 0.007092 -0.112055 0.004944 -0.058629 0.007307 0.007206 0.002585 0.015814 -0.026608 0.079538 -0.007274 -0.014222 0.024947 0.001573 -0.005216 -0.007134 -0.018864 -0.002886 0.026593 0.014450 0.001996 0.020697 0.215015 0.158564 -0.181986 0.002966 0.013167 -0.007673 0.441560 0.063122 -0.247650 0.007365 0.014576 0.013115 0.194151 0.004041 -0.338035 -0.001125 -0.009028 -0.003883 -0.005477 0.005378 0.017428 -0.192817 -0.280969 -0.057177 0.009869 -0.006469 -0.005549 0.051467 0.001390 -0.105678 -0.173081 -0.307083 0.593352 0.001853 0.010758 0.012362 -0.398761 -0.468597 0.043908 -0.002325 0.013785 0.010733 -0.059066 -0.246615 -0.036355 0.008851 -0.018874 -0.009024 -0.019273 0.000291 0.018013 0.215397 -0.033872 -0.554989 0.001023 0.012721 0.034972 -0.019868 0.002609 0.003269 -0.649377 -0.099393 -0.247112 0.001477 -0.003920 0.010525 -0.146826 -0.103152 0.479520 -0.016757 -0.020374 0.010734 -0.026390 -0.003127 -0.046820 -0.004046 0.004923 -0.016606 0.013586 0.009609 0.004861 -0.070043 0.318949 -0.441364 0.007695 0.004923 0.002484 0.004750 -0.025392 0.025440 0.680655 0.337350 -0.650256 -0.017684 -0.015422 0.013002 0.030824 0.506239 0.964589 0.004841 -0.001940 0.007522 0.119735 0.168270 -0.732785 -0.003598 0.013818 0.013584 0.023374 0.002684 0.012468 -0.052996 0.099126 0.475022 -0.007604 -0.008083 -0.014448 -0.010547 -0.005093 0.052628 -0.022856 -0.009983 0.179612 -0.037554 -0.123726 0.067291 -0.111140 -0.119021 -0.462921 0.011719 -0.064242 0.028919 0.001504 -0.005181 -0.000096 -0.230078 -0.063352 0.295653 0.005236 -0.012897 0.025523 0.167002 -0.066558 0.249260 -0.137347 0.058918 0.315508 -0.000496 0.015860 0.021666 0.020301 -0.014849 0.015598 0.013641 -0.010331 0.025943 -0.157803 -0.241234 0.513682 -0.009339 -0.000036 -0.001878 0.001054 -0.034046 -0.005143 0.068361 0.006049 -0.161071 -0.227170 0.094878 -0.317413 -0.027275 0.001574 -0.008128 0.019006 -0.015616 0.031152 0.020440 -0.003478 0.014037 0.261217 0.237357 0.482419 -0.000780 0.032803 0.033908 0.071173 0.010873 0.005463 0.051257 -0.155859 -0.911614 0.046322 -0.057730 0.061413 0.043826 0.111104 0.295187 0.004598 -0.014736 0.020524 0.018535 -0.014944 0.023613 0.013114 -0.006389 0.021387 0.009580 -0.009278 0.000307 0.032110 0.162906 0.003194 -0.000365 0.007272 -0.003334 0.096737 0.197633 -0.073990 -0.011329 0.014278 0.002816 -0.112277 0.004794 -0.058528 0.019504 -0.000013 0.003680 0.016020 -0.025942 0.082911 -0.016632 -0.012582 0.022621 -0.006226 -0.000465 -0.025969 -0.022807 0.007766 0.028875 0.006329 0.003865 0.018288 0.213316 0.158866 -0.182993 0.007571 0.015503 -0.010198 0.441938 0.057218 -0.249689 0.012143 0.012623 0.011893 0.194155 0.003333 -0.338671 0.000978 -0.012434 -0.003116 0.000120 -0.013655 0.018987 -0.192407 -0.280839 -0.057499 0.007194 -0.005611 0.012736 0.066735 -0.013042 -0.132675 -0.171156 -0.306127 0.593037 0.006755 0.010607 0.026856 -0.399253 -0.468741 0.043104 -0.009061 0.023080 0.014801 -0.059289 -0.247458 -0.036866 0.004936 -0.045107 -0.004810 -0.020883 0.016415 0.017673 0.215241 -0.033529 -0.559007 0.002232 0.019203 0.036952 -0.067054 0.002686 0.005886 -0.648045 -0.099892 -0.250090 -0.013981 -0.012896 0.004283 -0.144060 -0.096947 0.477137 -0.020842 -0.015585 0.019055 -0.026538 -0.002476 -0.047237 -0.010283 0.008843 -0.009727 0.025622 0.030366 0.006523 -0.069979 0.318859 -0.442581 0.019004 0.011598 0.008069 0.008335 -0.042735 0.023294 0.680153 0.335939 -0.651221 -0.033598 -0.016075 0.008951 0.027704 0.507311 0.966919 0.003017 0.008888 0.002881 0.119693 0.169097 -0.732344 0.005838 0.036920 0.019159 0.015557 -0.003642 0.009829 -0.053560 0.099020 0.477212 -0.017064 -0.014342 -0.007082 -0.008292 -0.000682 0.050203 0.001594 -0.028865 0.008463 -0.037619 -0.127284 0.071945 -0.109463 -0.119777 -0.466143 0.015702 -0.062703 0.025898 -0.005446 -0.021811 -0.005477 -0.229954 -0.064504 0.296633 0.003537 -0.018427 0.020660 0.166710 -0.066686 0.247327 -0.138639 0.059111 0.316254 -0.001521 0.009153 0.010351 0.014280 -0.013485 0.007704 0.015221 -0.012643 0.021820 -0.158083 -0.241505 0.515906 -0.009917 0.007341 -0.012567 0.013892 -0.030517 -0.002427 0.070100 0.006640 -0.158794 -0.227489 0.095574 -0.318844 -0.035139 0.001190 -0.009892 0.004100 0.003468 0.026520 0.012668 -0.011729 0.012945 0.261659 0.238667 0.483350 0.003984 0.028690 0.031384 0.067196 0.010240 0.007472 0.051444 -0.156228 -0.910029 0.046174 -0.057065 0.064624 0.043881 0.111992 0.299769 0.009403 -0.014394 0.018930 -0.012867 -0.021377 0.019122 0.015461 -0.003347 0.019755 0.008404 -0.007761 0.012428 0.033030 0.163290 0.004615 -0.005491 0.010090 -0.004480 0.097715 0.197816 -0.073133 -0.005116 0.010471 0.003487 -0.112047 0.005031 -0.057458 0.024345 -0.001414 0.002913 0.016421 -0.026837 0.085040 -0.020148 -0.010972 0.020229 -0.006421 0.002346 -0.031752 -0.020109 0.011705 0.027352 0.012197 0.007639 0.013960 0.213337 0.158444 -0.181653 0.006646 0.009368 -0.009765 0.442242 0.058521 -0.249196 0.012645 0.015495 0.010277 0.194565 0.002735 -0.337715 0.001515 -0.008087 0.000823 -0.003805 0.025286 0.024419 -0.192305 -0.281011 -0.056869 0.007855 -0.005042 0.017721 0.010749 0.009280 0.040396 -0.170617 -0.307301 0.594965 0.009031 0.008414 0.030835 -0.399321 -0.471190 0.044227 -0.009940 0.022904 0.016825 -0.059250 -0.247351 -0.036502 0.006092 -0.001438 -0.004814 -0.017760 0.021808 0.018747 0.215659 -0.035364 -0.561903 -0.000018 0.019163 0.037172 0.003211 -0.000103 0.007822 -0.647057 -0.099249 -0.246460 -0.013949 -0.010319 0.008326 -0.149099 -0.098376 0.476981 -0.018506 -0.020553 0.021908 -0.025197 -0.001796 -0.046049 -0.010475 0.005060 -0.004597 0.020324 -0.007512 0.008789 -0.070304 0.319264 -0.443896 0.000017 0.010189 0.000950 0.001555 -0.044825 0.027889 0.678779 0.337955 -0.654009 -0.031744 -0.013392 0.010916 0.032909 0.510256 0.968351 -0.000079 0.010401 0.001983 0.118640 0.169228 -0.732204 0.009993 -0.002776 0.022147 0.012622 -0.006757 0.011516 -0.052618 0.100003 0.478779 -0.001246 -0.014534 -0.010439 0.001251 0.002078 0.047447 0.009123 -0.034857 -0.047293 -0.037365 -0.127004 0.071173 -0.109587 -0.119775 -0.467477 0.015786 -0.062709 0.025546 -0.004637 -0.021902 -0.005183 -0.230014 -0.064638 0.296346 0.003519 -0.018350 0.021642 0.166629 -0.066596 0.247851 -0.139351 0.059000 0.315905 -0.002975 0.009328 0.011531 0.017685 -0.013842 0.005827 0.015992 -0.012853 0.021175 -0.158903 -0.241532 0.515221 -0.009474 0.007418 -0.011678 0.012673 -0.032727 -0.003087 0.070078 0.006220 -0.159049 -0.227513 0.095452 -0.319918 -0.037087 0.001188 -0.011064 0.004215 0.002202 0.026116 0.014426 -0.011217 0.012148 0.261567 0.239586 0.482971 0.003497 0.029281 0.030058 0.066131 0.010688 0.008301 0.051238 -0.156563 -0.910697 0.045927 -0.056570 0.065528 0.044094 0.111995 0.298975 0.009415 -0.013245 0.018785 -0.009878 -0.020002 0.018561 0.015293 -0.004200 0.019852 0.007679 -0.006595 0.011566 0.033807 0.162902 0.004698 -0.004569 0.009290 -0.005718 0.098107 0.197915 -0.073619 -0.005343 0.011097 0.002978 -0.112008 0.005205 -0.058238 0.024688 -0.002155 0.002552 0.016246 -0.026803 0.085164 -0.021292 -0.010407 0.020467 -0.006876 0.002855 -0.032707 -0.019661 0.013073 0.026606 0.011624 0.007089 0.013184 0.214571 0.158597 -0.181475 0.007293 0.011454 -0.008282 0.442163 0.059039 -0.249466 0.012447 0.013903 0.010786 0.194687 0.002775 -0.338470 0.001662 -0.008607 0.001872 -0.003412 0.021390 0.024110 -0.192268 -0.280833 -0.057803 0.006574 -0.005969 0.020043 0.006060 0.016453 0.093798 -0.172038 -0.306565 0.594971 0.009080 0.008024 0.032783 -0.399416 -0.472979 0.044372 -0.009860 0.021192 0.018156 -0.059482 -0.247687 -0.037125 0.006015 -0.006641 -0.003552 -0.016734 0.022574 0.019053 0.215597 -0.035227 -0.565606 0.000301 0.019118 0.039155 -0.002914 -0.000543 0.010755 -0.648320 -0.099195 -0.246515 -0.014920 -0.013089 0.008858 -0.147314 -0.099113 0.476986 -0.021792 -0.019452 0.023441 -0.025396 -0.001800 -0.046841 -0.010680 0.005773 -0.003019 0.021089 -0.004718 0.009978 -0.069955 0.319271 -0.446681 0.000763 0.010830 0.004891 0.001830 -0.045226 0.027832 0.681090 0.337162 -0.654271 -0.030407 -0.012880 0.011147 0.030578 0.512500 0.968734 0.002942 0.012251 0.002710 0.118799 0.169501 -0.733744 0.010009 0.001569 0.024041 0.012223 -0.007222 0.012034 -0.053044 0.099544 0.478901 -0.002562 -0.015026 -0.010442 0.001835 0.002611 0.048887 0.024694 -0.048330 -0.170340 -0.034758 -0.122509 0.067522 -0.112117 -0.120252 -0.471417 0.014266 -0.064726 0.027149 0.004488 -0.009477 -0.003996 -0.230559 -0.062954 0.295956 0.004227 -0.014407 0.026638 0.165379 -0.066179 0.253674 -0.143808 0.058730 0.317228 -0.008335 0.014175 0.025735 0.037680 -0.015562 0.003805 0.018907 -0.012720 0.021364 -0.160234 -0.240811 0.512619 -0.006739 0.002883 0.003409 0.001241 -0.045955 -0.001888 0.068574 0.005100 -0.159758 -0.230041 0.093760 -0.322230 -0.039959 0.001787 -0.012233 0.016873 -0.015660 0.026794 0.028673 -0.002340 0.011414 0.261291 0.242789 0.483004 -0.001248 0.033157 0.028363 0.066234 0.011571 0.011065 0.050765 -0.158094 -0.910181 0.045144 -0.056214 0.065382 0.045831 0.110480 0.294336 0.004617 -0.010736 0.022706 0.022703 -0.009824 0.018995 0.013882 -0.007335 0.022592 0.007389 -0.004548 -0.002521 0.037333 0.161338 0.003619 0.000620 0.003536 -0.006538 0.099437 0.197545 -0.074495 -0.010657 0.016446 0.001615 -0.112877 0.004840 -0.060048 0.024033 -0.004741 0.002765 0.014084 -0.025611 0.085383 -0.024346 -0.008788 0.022625 -0.009803 0.004270 -0.034545 -0.020501 0.015609 0.027744 0.004465 0.004831 0.014881 0.209482 0.158855 -0.180091 0.011013 0.010104 -0.011647 0.442001 0.048885 -0.251953 0.013556 0.005956 0.008315 0.195450 0.002329 -0.339255 0.002233 -0.013155 0.003775 0.002376 -0.025946 0.017760 -0.191515 -0.280666 -0.058170 0.006383 -0.003313 0.024988 0.017662 0.024786 0.229550 -0.167990 -0.305643 0.596168 0.008123 0.006644 0.032638 -0.399843 -0.472708 0.044129 -0.011868 0.020416 0.018691 -0.060892 -0.248184 -0.036119 0.000785 -0.060380 -0.001412 -0.014054 0.023937 0.017443 0.215441 -0.032716 -0.571951 0.001232 0.018529 0.037690 -0.082215 -0.000473 0.014584 -0.645602 -0.099140 -0.252808 -0.018291 -0.016661 0.001273 -0.142904 -0.089878 0.476975 -0.023756 -0.011228 0.022154 -0.027344 -0.001320 -0.047706 -0.012523 0.011884 0.000082 0.030796 0.038012 0.009457 -0.070495 0.319563 -0.447789 0.025254 0.012255 0.015096 0.007962 -0.044247 0.023093 0.682901 0.335784 -0.653604 -0.029029 -0.010117 0.004393 0.024385 0.514254 0.968757 0.006106 0.014747 0.000225 0.120590 0.170153 -0.732419 0.011637 0.048002 0.019762 0.005585 -0.008314 0.008231 -0.053905 0.097169 0.483165 -0.025530 -0.015356 -0.008869 -0.000045 0.002106 0.047210 0.026537 -0.045409 -0.164281 -0.031093 -0.127513 0.071940 -0.108017 -0.122006 -0.478863 0.015945 -0.056554 0.025055 -0.005999 -0.022872 -0.002625 -0.230713 -0.064227 0.296695 0.003273 -0.019245 0.024130 0.162098 -0.065985 0.253070 -0.149751 0.058444 0.317862 -0.007223 0.007656 0.014238 0.024236 -0.012077 0.000057 0.020114 -0.013795 0.019247 -0.160230 -0.240960 0.515062 -0.005638 0.008365 -0.006200 0.012993 -0.035764 0.000932 0.069807 0.005448 -0.159462 -0.231904 0.095746 -0.322512 -0.037978 0.000783 -0.011314 0.001170 0.002954 0.023080 0.017254 -0.008476 0.008678 0.262258 0.244961 0.484359 0.003802 0.027423 0.026102 0.054940 0.010512 0.011159 0.050989 -0.158697 -0.907625 0.044857 -0.055987 0.071580 0.048126 0.113100 0.298435 0.008644 -0.009345 0.021411 -0.008607 -0.016153 0.014111 0.013470 -0.006179 0.019429 0.006749 -0.003664 0.011648 0.042770 0.160405 0.005475 -0.002888 0.004137 -0.007231 0.102677 0.197563 -0.074786 -0.005175 0.009827 0.003660 -0.113063 0.005250 -0.060330 0.020189 -0.005177 0.001884 0.012377 -0.026911 0.086709 -0.025651 -0.007301 0.020736 -0.007338 0.004863 -0.034684 -0.016899 0.016553 0.023885 0.012859 0.007016 0.013138 0.206337 0.158325 -0.177354 0.011200 0.006035 -0.007845 0.442179 0.048495 -0.252376 0.012522 0.007473 0.006934 0.197564 0.000490 -0.337823 0.004225 -0.007792 0.006867 -0.000771 0.015424 0.022372 -0.189680 -0.280575 -0.057615 0.006356 -0.002432 0.025075 -0.014821 0.023258 0.221200 -0.166439 -0.306302 0.598465 0.005506 0.003238 0.032787 -0.399861 -0.471475 0.045122 -0.010578 0.015990 0.019810 -0.062015 -0.249245 -0.034761 0.001649 -0.010924 -0.002067 -0.012034 0.025274 0.016090 0.215922 -0.033159 -0.585303 -0.001575 0.017089 0.041359 -0.004444 -0.002746 0.021398 -0.634983 -0.098069 -0.248476 -0.016181 -0.015568 0.003653 -0.145534 -0.090360 0.477417 -0.022945 -0.012658 0.021660 -0.026171 0.000698 -0.046123 -0.010052 0.007055 0.004541 0.023709 -0.002372 0.012138 -0.070267 0.320091 -0.453830 0.003531 0.010854 0.010278 0.000180 -0.042849 0.027386 0.674479 0.337442 -0.656618 -0.023142 -0.007137 0.006043 0.026775 0.515562 0.969333 0.007707 0.015126 0.001780 0.120262 0.171582 -0.732435 0.011144 0.002704 0.021317 0.002784 -0.009990 0.008185 -0.053773 0.096313 0.481004 -0.008801 -0.014268 -0.011066 0.010074 0.002694 0.047623 0.029193 -0.040976 -0.161473 -0.035721 -0.131125 0.074825 -0.109837 -0.120816 -0.478768 0.015043 -0.040264 0.020522 -0.012546 -0.034562 0.002491 -0.230049 -0.064971 0.297507 0.002064 -0.023754 0.017777 0.165782 -0.066240 0.250347 -0.143022 0.058992 0.316882 -0.004506 0.001484 0.007901 0.011910 -0.008820 -0.003049 0.020356 -0.016230 0.013281 -0.159545 -0.241869 0.516370 -0.004314 0.015696 -0.010223 0.022502 -0.028477 0.002276 0.071236 0.005127 -0.159280 -0.229235 0.098325 -0.325498 -0.044251 -0.000129 -0.011881 -0.011182 0.014889 0.016803 0.008611 -0.018599 0.006659 0.262104 0.241272 0.483333 0.007206 0.021420 0.022487 0.036718 0.007012 0.015491 0.050903 -0.157743 -0.909367 0.045668 -0.054542 0.072400 0.045698 0.114030 0.300149 0.013626 -0.007557 0.019041 -0.028754 -0.018286 0.008506 0.014587 -0.002636 0.018840 0.003881 -0.001374 0.017807 0.037660 0.162714 0.004332 -0.005683 0.008770 -0.005247 0.100019 0.198508 -0.074668 0.000599 0.003736 0.002264 -0.111489 0.005552 -0.058978 0.022641 -0.006059 0.000286 0.015799 -0.028937 0.087039 -0.025758 -0.005789 0.020443 -0.005818 0.007041 -0.033363 -0.010551 0.018839 0.020048 0.019398 0.007120 0.012872 0.208164 0.158371 -0.176050 0.006475 -0.002702 -0.007836 0.442103 0.055379 -0.249891 0.010756 0.011053 0.004751 0.195792 0.001730 -0.337995 0.003685 -0.001904 0.011847 -0.000054 0.041145 0.025890 -0.191077 -0.280462 -0.056739 0.006490 -0.000638 0.028756 -0.038303 0.017502 0.218494 -0.165024 -0.305417 0.601748 0.009100 -0.000304 0.031672 -0.398652 -0.468924 0.046904 -0.009193 0.010117 0.020322 -0.060047 -0.247591 -0.036646 0.002716 0.021956 0.001728 -0.008171 0.025937 0.016694 0.216052 -0.034191 -0.571780 -0.003699 0.013239 0.032464 0.049538 -0.006517 0.017346 -0.641947 -0.097782 -0.245826 -0.010702 -0.010145 0.003147 -0.146115 -0.096853 0.477941 -0.018372 -0.017724 0.021478 -0.025235 -0.000412 -0.046087 -0.010603 0.002045 0.011253 0.017042 -0.029446 0.014057 -0.070445 0.319574 -0.449838 -0.014934 0.007825 0.005707 -0.004599 -0.035426 0.030120 0.676394 0.336638 -0.662045 -0.015429 -0.000740 0.014745 0.028335 0.510399 0.970627 0.005311 0.013041 0.001033 0.119259 0.170134 -0.734728 0.014982 -0.029355 0.024237 -0.002235 -0.013224 0.006098 -0.052312 0.099203 0.481541 0.006100 -0.011976 -0.000525 0.017911 0.005675 0.038205 0.034780 -0.034730 -0.180392 -0.031494 -0.130797 0.073462 -0.114489 -0.122315 -0.490615 0.007167 -0.010753 0.012600 -0.011171 -0.035064 0.010304 -0.230728 -0.063568 0.297262 0.000302 -0.020471 0.019518 0.164218 -0.065674 0.258216 -0.150441 0.058257 0.317944 -0.008467 -0.000183 0.021194 0.017591 -0.005520 -0.007297 0.023914 -0.017320 0.006278 -0.161297 -0.241885 0.513935 0.002863 0.017171 0.007338 0.017968 -0.031263 0.005678 0.070046 0.003039 -0.162194 -0.233480 0.098603 -0.331499 -0.044178 -0.002003 -0.011915 -0.010718 0.004153 0.010246 0.014196 -0.014106 0.000124 0.261979 0.246420 0.483293 0.005196 0.017050 0.015283 0.001728 0.003303 0.024165 0.049710 -0.160125 -0.907986 0.044554 -0.052672 0.077676 0.049528 0.114635 0.296028 0.012314 0.000832 0.022319 -0.009456 -0.005494 0.005828 0.009060 -0.006897 0.020690 0.000015 0.005868 0.007312 0.043937 0.161154 0.004773 -0.000752 0.001104 -0.005411 0.103043 0.198753 -0.077007 -0.001038 0.001363 0.001900 -0.111655 0.005308 -0.061845 0.016952 -0.008914 -0.001666 0.013038 -0.030031 0.087254 -0.027601 -0.002393 0.023564 -0.004280 0.009658 -0.028403 -0.003662 0.022548 0.012196 0.018823 0.003373 0.016880 0.203955 0.157958 -0.169316 0.007853 -0.009429 -0.007477 0.442189 0.045223 -0.251200 0.007589 -0.000253 -0.000333 0.196992 0.001266 -0.339351 0.005960 -0.000753 0.020049 0.006781 0.007313 0.019281 -0.190272 -0.280303 -0.057508 0.005280 0.002102 0.034533 -0.025010 0.006118 0.240184 -0.160978 -0.303103 0.609331 0.007702 -0.007759 0.028604 -0.398707 -0.465439 0.049725 -0.008172 -0.001575 0.022304 -0.061947 -0.247709 -0.035134 0.000549 -0.003593 0.007894 0.000373 0.023846 0.011076 0.216394 -0.032027 -0.586620 -0.005481 0.006050 0.027452 0.015927 -0.012212 0.028345 -0.636639 -0.096311 -0.251633 -0.005378 -0.016092 -0.001738 -0.143337 -0.089766 0.480538 -0.022167 -0.008847 0.019101 -0.027056 0.000013 -0.047350 -0.008062 0.003816 0.024168 0.019458 -0.005666 0.014926 -0.071640 0.319895 -0.453351 -0.000588 0.005364 0.020403 -0.002735 -0.019548 0.024439 0.676821 0.333922 -0.668577 0.003708 0.008688 0.013376 0.021933 0.509729 0.972692 0.018273 0.012335 0.001396 0.121024 0.170506 -0.737935 0.016981 -0.006546 0.024272 -0.018777 -0.017840 0.001316 -0.052473 0.096178 0.485740 -0.004091 -0.008567 0.009231 0.019748 0.012605 0.030117 0.047252 -0.019346 -0.189721 -0.020098 -0.146073 0.081321 -0.111868 -0.127593 -0.530631 0.001271 0.038290 -0.008109 -0.036375 -0.065359 0.029381 -0.231879 -0.065189 0.299239 -0.007623 -0.029866 0.011789 0.154109 -0.064594 0.268948 -0.171888 0.056704 0.317959 -0.010369 -0.020056 0.006834 -0.011995 0.007245 -0.024125 0.029054 -0.021210 -0.008686 -0.158936 -0.242470 0.518359 0.013476 0.032348 0.010153 0.036797 -0.009659 0.017674 0.070683 -0.000991 -0.165460 -0.241138 0.107595 -0.342001 -0.040829 -0.005984 -0.008045 -0.049056 0.036679 -0.010461 -0.002478 -0.026452 -0.016860 0.264094 0.252728 0.485461 0.015349 -0.004033 -0.001435 -0.073910 -0.006203 0.037072 0.048994 -0.159994 -0.898613 0.043474 -0.049284 0.095724 0.060684 0.124716 0.298927 0.019612 0.012455 0.023979 -0.062302 -0.007026 -0.016321 0.004858 -0.005908 0.015753 -0.002180 0.018067 0.017475 0.063446 0.159825 0.007250 -0.002644 -0.001857 -0.010313 0.113014 0.198480 -0.082271 0.009894 -0.018060 0.002825 -0.112650 0.006139 -0.063999 0.002826 -0.013349 -0.006144 0.007104 -0.039292 0.089836 -0.030935 0.003841 0.018516 0.003429 0.015559 -0.023303 0.009345 0.031483 -0.008873 0.039399 0.004891 0.015148 0.191463 0.155880 -0.150748 0.011947 -0.034620 0.006551 0.443692 0.043754 -0.251748 0.003192 -0.008625 -0.008090 0.204716 -0.004365 -0.338255 0.014596 0.010323 0.040483 0.008728 0.068889 0.023753 -0.183704 -0.280848 -0.056301 0.005850 0.007215 0.044368 -0.085007 -0.010662 0.252336 -0.153256 -0.302864 0.624822 -0.005367 -0.026096 0.025621 -0.398404 -0.429667 0.055674 -0.000268 -0.025771 0.031168 -0.068464 -0.248841 -0.030041 -0.003522 0.061280 0.016573 0.017404 0.027726 0.002613 0.216460 -0.031721 -0.641765 -0.011868 -0.006642 0.040187 0.174307 -0.024019 0.053090 -0.595366 -0.092299 -0.250927 0.010248 -0.012962 -0.000803 -0.135984 -0.091686 0.484014 -0.018024 -0.000992 0.014557 -0.024173 0.006210 -0.045483 0.002160 -0.002488 0.055505 0.003725 -0.070110 0.024674 -0.073671 0.321160 -0.468673 -0.030316 -0.002344 0.023864 -0.017754 0.008032 0.020256 0.638957 0.334887 -0.684035 0.038539 0.031462 0.020100 0.011068 0.481157 0.975982 0.031196 0.007278 0.012477 0.119459 0.173301 -0.739653 0.016163 -0.074748 0.028661 -0.045529 -0.025214 -0.004645 -0.051378 0.090186 0.464467 0.015500 -0.003346 0.060409 0.043672 0.024993 0.014711 0.040032 -0.028237 -0.179143 -0.011009 -0.148264 0.076535 -0.106386 -0.130861 -0.541785 0.008565 -0.000926 0.009571 -0.029281 -0.048354 0.016951 -0.233188 -0.064496 0.298000 -0.004335 -0.021250 0.014202 0.142026 -0.063683 0.275718 -0.186005 0.055431 0.315481 -0.009478 -0.007931 0.006487 0.004031 0.000109 -0.016692 0.028593 -0.018877 0.001500 -0.153279 -0.240903 0.517159 0.007731 0.020994 0.005042 0.025314 -0.019586 0.012060 0.066629 0.000397 -0.165320 -0.243463 0.109294 -0.334367 -0.029005 -0.003634 -0.004243 -0.033396 0.026509 0.001635 0.008232 -0.019659 -0.012418 0.266024 0.253018 0.484791 0.012313 0.007730 0.008309 -0.030897 0.000684 0.025158 0.049134 -0.153721 -0.891323 0.043463 -0.052247 0.093712 0.069910 0.130941 0.297411 0.011766 0.007015 0.025799 -0.046169 -0.009730 -0.006615 0.006683 -0.010119 0.013649 0.014082 0.008723 0.007035 0.074511 0.159546 0.005971 -0.000235 -0.000312 -0.017917 0.118637 0.196848 -0.086674 0.001410 -0.007898 0.004494 -0.115738 0.006634 -0.064850 -0.003618 -0.011739 -0.003954 0.000894 -0.042689 0.088469 -0.031616 0.001370 0.020651 0.001124 0.011488 -0.027544 -0.013341 0.027210 -0.006556 0.032401 0.007523 0.015773 0.181495 0.156084 -0.150406 0.020592 -0.020578 0.006690 0.445791 0.045722 -0.255024 0.005616 -0.008811 -0.003548 0.211472 -0.006533 -0.337451 0.018072 0.003067 0.031625 0.003303 0.054726 0.023106 -0.179341 -0.281554 -0.056638 0.006669 0.005446 0.033483 -0.061687 0.001418 0.239800 -0.150355 -0.305540 0.617780 -0.015945 -0.017055 0.032836 -0.400041 -0.387269 0.051850 -0.004914 -0.007202 0.023372 -0.074910 -0.249456 -0.024154 -0.006644 0.032098 0.007771 0.009721 0.027008 0.005754 0.216102 -0.031427 -0.677204 -0.011089 0.001094 0.066628 0.112822 -0.015279 0.056607 -0.557429 -0.092550 -0.255680 0.002898 -0.018287 0.006691 -0.132356 -0.092925 0.483497 -0.025564 0.001479 0.017196 -0.022895 0.008726 -0.045319 0.006282 0.002696 0.042085 0.010114 -0.054089 0.020122 -0.074020 0.322269 -0.475824 -0.005835 0.000957 0.032562 -0.011543 -0.012011 0.027726 0.603728 0.338683 -0.672930 0.018651 0.017391 0.014305 0.008291 0.442627 0.973364 0.030219 0.008744 0.013035 0.119079 0.174197 -0.735094 0.008048 -0.041762 0.024443 -0.030291 -0.021555 -0.002275 -0.053113 0.082909 0.425456 -0.010469 -0.005292 0.095172 0.036412 0.015486 0.036430 -0.004556 0.009620 0.141187 -0.011300 -0.149605 0.077646 -0.108562 -0.131315 -0.537620 0.007867 0.007352 0.009422 -0.022642 -0.038841 0.020951 -0.233197 -0.064641 0.297876 -0.005748 -0.019163 0.009704 0.142184 -0.063578 0.276507 -0.186753 0.055360 0.314794 -0.008616 -0.010784 0.010157 0.000295 0.000968 -0.013067 0.023615 -0.014080 0.001690 -0.153604 -0.241169 0.516630 0.009126 0.018691 0.005216 0.022744 -0.012292 0.013143 0.066825 -0.000651 -0.165428 -0.243462 0.110677 -0.333447 -0.023130 -0.005395 -0.001947 -0.029816 0.021510 -0.000436 0.004202 -0.016067 -0.012332 0.265850 0.253601 0.484063 0.010332 0.007243 0.007952 -0.034351 -0.001292 0.024089 0.048671 -0.153872 -0.891821 0.043495 -0.051509 0.096501 0.070190 0.131791 0.296548 0.009945 0.008769 0.025130 -0.037540 -0.004932 -0.005338 0.005045 -0.010021 0.013603 0.007553 0.010922 0.004014 0.074652 0.159637 0.006649 0.000518 -0.002895 -0.016221 0.118928 0.197181 -0.087706 0.003868 -0.011421 0.003038 -0.115369 0.006810 -0.065709 -0.005913 -0.010268 -0.003883 0.001471 -0.044024 0.087243 -0.024080 0.003312 0.017096 0.001966 0.009871 -0.021294 -0.005983 0.023697 -0.008136 0.025377 0.004384 0.017754 0.180494 0.155654 -0.146265 0.019413 -0.021936 0.007413 0.445158 0.045028 -0.253834 0.004394 -0.011505 -0.001276 0.211523 -0.006427 -0.337549 0.015286 0.003973 0.031720 0.005699 0.041296 0.020275 -0.179509 -0.281593 -0.056351 0.004432 0.004328 0.028622 -0.008979 -0.040656 -0.087120 -0.149149 -0.304545 0.620983 -0.014639 -0.017604 0.030784 -0.398731 -0.385696 0.054504 -0.001396 -0.011088 0.027620 -0.075199 -0.249025 -0.024172 -0.005707 0.030966 0.009248 0.009607 0.020378 0.005186 0.216199 -0.031087 -0.679820 -0.008979 -0.002427 0.060499 0.097243 -0.016199 0.053711 -0.556414 -0.091662 -0.254872 0.001456 -0.016002 0.009643 -0.129864 -0.092741 0.485498 -0.023038 0.004599 0.017424 -0.023205 0.008673 -0.045412 0.007452 0.001639 0.040766 0.007477 -0.048226 0.019333 -0.074794 0.322372 -0.476566 -0.004196 -0.002366 0.032157 -0.011449 -0.002701 0.023380 0.602323 0.337598 -0.674875 0.021372 0.017802 0.017898 0.005772 0.441180 0.974590 0.029687 0.007401 0.017558 0.119241 0.173882 -0.737030 0.007444 -0.039839 0.025400 -0.026925 -0.020725 -0.003683 -0.052384 0.082414 0.425647 -0.007856 -0.003030 0.089923 0.030644 0.014318 0.034826 -0.013915 0.017930 0.213913 -0.011497 -0.151433 0.079291 -0.107426 -0.131760 -0.537318 0.008680 0.010561 0.008964 -0.025140 -0.042786 0.022050 -0.233011 -0.065382 0.298460 -0.006250 -0.020283 0.008229 0.141736 -0.063679 0.275963 -0.186693 0.055410 0.314859 -0.007143 -0.013656 0.005052 -0.006656 0.001854 -0.013251 0.022242 -0.013367 0.000814 -0.153180 -0.241153 0.518001 0.009000 0.020369 0.001492 0.025720 -0.007340 0.013878 0.067507 -0.000380 -0.164973 -0.242682 0.111873 -0.332950 -0.022147 -0.005976 -0.001404 -0.034593 0.029117 -0.002946 -0.000432 -0.018410 -0.012491 0.266036 0.252842 0.484299 0.012041 0.005398 0.007591 -0.035284 -0.002173 0.023902 0.048793 -0.153725 -0.891250 0.043795 -0.051495 0.098102 0.069986 0.132610 0.297778 0.010851 0.008379 0.024558 -0.049594 -0.007699 -0.006833 0.005951 -0.007885 0.012595 0.006562 0.011054 0.007611 0.074710 0.160024 0.007042 -0.000874 -0.002093 -0.015572 0.119129 0.197155 -0.087645 0.006290 -0.014023 0.003235 -0.115177 0.006951 -0.065025 -0.006090 -0.009910 -0.003419 0.002145 -0.044806 0.087414 -0.021958 0.003299 0.015061 0.002520 0.010029 -0.020367 -0.004452 0.022856 -0.008392 0.027319 0.004978 0.017087 0.179897 0.155474 -0.145348 0.018366 -0.027118 0.010335 0.444988 0.049913 -0.253183 0.003863 -0.008645 -0.000967 0.211593 -0.006477 -0.337170 0.014837 0.005954 0.031918 0.003429 0.060404 0.023005 -0.179332 -0.281590 -0.056188 0.004053 0.004414 0.027171 -0.012224 -0.048113 -0.164935 -0.148246 -0.304819 0.621704 -0.013877 -0.018169 0.030716 -0.398192 -0.384331 0.055169 -0.001509 -0.012538 0.028620 -0.074903 -0.248955 -0.024147 -0.004775 0.048391 0.009245 0.010256 0.020045 0.005453 0.216400 -0.031844 -0.679777 -0.009868 -0.003403 0.057779 0.128738 -0.017168 0.052647 -0.555141 -0.091553 -0.253000 0.001736 -0.010582 0.011192 -0.131981 -0.097777 0.485704 -0.016849 0.002011 0.017570 -0.022464 0.008646 -0.044815 0.007649 -0.000469 0.040871 0.003387 -0.066207 0.019667 -0.074412 0.322316 -0.477571 -0.010658 -0.003477 0.028815 -0.014531 -0.001589 0.023990 0.600319 0.337981 -0.676619 0.021381 0.018600 0.021352 0.008397 0.439707 0.975096 0.024724 0.007568 0.019046 0.118842 0.173756 -0.736032 0.007799 -0.055864 0.025263 -0.026150 -0.021121 -0.003208 -0.052275 0.083226 0.423279 -0.001977 -0.002541 0.089280 0.031893 0.012673 0.034668 -0.013876 0.018341 0.206440 -0.011951 -0.151609 0.079566 -0.110200 -0.132316 -0.526248 0.009861 0.015663 0.007808 -0.010110 -0.025412 0.026804 -0.232979 -0.065436 0.297868 -0.006999 -0.008494 0.007014 0.141789 -0.063557 0.276479 -0.187667 0.055255 0.313710 -0.006164 -0.014242 0.011236 0.004060 0.000695 -0.010629 0.014033 -0.003645 0.003134 -0.153693 -0.241003 0.516678 0.009552 0.012734 0.001424 0.017223 -0.000931 0.014236 0.067435 -0.001476 -0.164110 -0.242250 0.112877 -0.329073 -0.012602 -0.008011 0.001846 -0.022609 0.018575 -0.004153 -0.002419 -0.010821 -0.009129 0.265722 0.253757 0.483142 0.008020 0.000397 0.006060 -0.025352 -0.002855 0.019216 0.047961 -0.153901 -0.892264 0.043826 -0.051051 0.100514 0.070276 0.132891 0.295496 0.005383 0.009884 0.022835 -0.032529 -0.000024 -0.002295 0.004955 -0.008036 0.013088 -0.001129 0.011934 0.001982 0.074516 0.159890 0.008033 0.000990 -0.006037 -0.013081 0.119417 0.197414 -0.088827 0.007765 -0.015803 0.002334 -0.114895 0.007127 -0.066372 -0.008196 -0.007070 -0.000872 0.002953 -0.045774 0.085631 -0.010992 0.003869 0.011090 0.002274 0.006455 -0.011764 0.002001 0.015812 -0.008030 0.013758 0.001908 0.016925 0.178827 0.154975 -0.141120 0.015777 -0.029464 0.008512 0.443896 0.048236 -0.251929 0.003105 -0.012767 0.003287 0.211288 -0.006128 -0.337334 0.011609 0.006499 0.029083 0.003541 0.036406 0.020427 -0.179607 -0.281576 -0.056207 0.000563 0.003664 0.016962 -0.004144 -0.049230 -0.162039 -0.147315 -0.303606 0.623412 -0.010689 -0.017579 0.030104 -0.396314 -0.383729 0.058160 -0.000445 -0.015387 0.028515 -0.075054 -0.248715 -0.024376 -0.003174 0.036201 0.009296 0.008061 0.008084 0.007599 0.216493 -0.031831 -0.683332 -0.008811 -0.005958 0.048779 0.085826 -0.016049 0.048370 -0.554669 -0.090687 -0.251747 -0.001728 -0.005630 0.015354 -0.128688 -0.096608 0.488045 -0.009626 0.008739 0.017628 -0.022896 0.008331 -0.044973 0.006340 0.000512 0.035293 0.003575 -0.055406 0.019577 -0.075047 0.322377 -0.478623 -0.003411 -0.006376 0.030215 -0.012978 0.006890 0.022571 0.599526 0.336461 -0.677253 0.018411 0.014371 0.026082 0.005466 0.439072 0.976402 0.019509 0.006888 0.024107 0.119205 0.173336 -0.737010 0.007250 -0.041654 0.024682 -0.017861 -0.017974 -0.002787 -0.051837 0.082790 0.423048 -0.003393 -0.000554 0.078306 0.022264 0.005104 0.031171 -0.013093 0.020808 0.196845 -0.013857 -0.156724 0.086522 -0.113523 -0.134700 -0.495542 0.015823 0.026459 0.022498 0.029667 0.014554 0.027638 -0.232543 -0.067303 0.298735 -0.008891 0.016561 -0.006632 0.140443 -0.063214 0.277147 -0.189922 0.055026 0.311511 0.001979 -0.020568 0.018552 0.025492 -0.001992 -0.004600 -0.012188 0.020777 0.007280 -0.153624 -0.242450 0.517863 0.007183 -0.004073 -0.011297 0.005851 0.028257 0.013438 0.069278 -0.002584 -0.159217 -0.238884 0.118891 -0.315598 0.014946 -0.012704 0.012012 -0.001364 0.006360 -0.004367 -0.021368 0.003657 0.000500 0.265526 0.253640 0.481441 0.002261 -0.019593 -0.000886 0.002549 -0.005180 0.004196 0.046589 -0.153386 -0.893104 0.044951 -0.050236 0.110910 0.069763 0.136290 0.298193 -0.004855 0.012281 0.016979 -0.007936 0.015269 0.005539 0.002193 -0.007230 0.009495 -0.022699 0.012955 -0.004322 0.073833 0.160646 0.012537 -0.000523 -0.014123 -0.005062 0.120481 0.198980 -0.090941 0.018910 -0.024278 0.001264 -0.112809 0.008079 -0.066930 -0.015039 0.000735 0.007347 0.006795 -0.050100 0.082017 0.026847 0.007487 0.000826 0.005490 -0.005649 0.014075 0.023397 -0.006782 -0.009680 -0.021319 -0.004617 0.013826 0.173787 0.153305 -0.127016 0.007387 -0.024704 0.004702 0.440853 0.055908 -0.246015 -0.002277 -0.018191 0.011180 0.211112 -0.005502 -0.336137 -0.003367 0.011908 0.017859 -0.001346 -0.001874 0.010119 -0.180205 -0.281683 -0.054787 -0.009579 0.006561 -0.015913 -0.009400 -0.047367 -0.158589 -0.141571 -0.300417 0.631651 0.002096 -0.011271 0.023471 -0.390210 -0.375975 0.069297 0.002403 -0.020247 0.028776 -0.074983 -0.247940 -0.024311 0.003059 0.043965 0.009726 0.004214 -0.023759 0.016283 0.217483 -0.031865 -0.691056 -0.009193 -0.017520 0.015269 0.010702 -0.010999 0.024888 -0.547687 -0.087668 -0.243276 -0.014565 0.003118 0.031111 -0.126911 -0.106002 0.496811 0.007779 0.021766 0.019769 -0.023168 0.007899 -0.043473 0.003514 -0.005543 0.016170 -0.002128 -0.048166 0.015572 -0.076375 0.322917 -0.482345 0.007247 -0.019544 0.021459 -0.014301 0.025038 0.027900 0.589855 0.333667 -0.679047 0.011238 -0.000487 0.044970 0.006080 0.431129 0.982309 0.006846 0.004782 0.037240 0.119527 0.172650 -0.744520 0.007114 -0.039983 0.028774 0.009841 -0.009581 0.000242 -0.049727 0.082403 0.414866 0.004380 0.004570 0.039986 -0.005339 -0.015527 0.025075 -0.011762 0.025033 0.175219 -0.017060 -0.165582 0.099101 -0.121257 -0.139507 -0.435226 0.024385 0.054046 0.031081 0.097548 0.093820 0.034600 -0.231737 -0.070792 0.301037 -0.012608 0.063290 -0.030906 0.137389 -0.062648 0.280105 -0.194374 0.054358 0.308411 0.017232 -0.032370 0.032127 0.066937 -0.007755 0.011265 -0.062200 0.069856 0.018630 -0.153628 -0.245198 0.520335 0.004461 -0.039409 -0.030531 -0.020577 0.084242 0.014713 0.072630 -0.005295 -0.149110 -0.232655 0.129715 -0.288290 0.069237 -0.023183 0.033258 0.043580 -0.022775 -0.007659 -0.054848 0.033891 0.021317 0.264883 0.253914 0.479154 -0.011839 -0.057655 -0.014644 0.059953 -0.010261 -0.023938 0.043665 -0.151935 -0.893553 0.046776 -0.048661 0.132354 0.069286 0.142264 0.302609 -0.027274 0.018235 0.005535 0.054400 0.049540 0.023618 -0.002094 -0.004123 0.003641 -0.067238 0.014741 -0.017394 0.072681 0.161461 0.022585 0.000143 -0.029789 0.009226 0.122682 0.201505 -0.093863 0.040259 -0.042909 0.000737 -0.108948 0.009732 -0.067340 -0.028408 0.015947 0.024732 0.013719 -0.058535 0.076133 0.099950 0.012821 -0.020681 0.008318 -0.028904 0.067605 0.062049 -0.047229 -0.006165 -0.089936 -0.018067 0.008924 0.165786 0.149893 -0.098928 -0.014513 -0.024811 -0.003820 0.434806 0.069039 -0.234408 -0.012286 -0.027491 0.030054 0.210969 -0.004089 -0.333416 -0.036991 0.019805 -0.005683 0.000936 -0.089549 -0.010975 -0.181598 -0.281978 -0.051743 -0.032345 0.007577 -0.075851 -0.009698 -0.040436 -0.150466 -0.131912 -0.295675 0.647444 0.027518 -0.001865 0.013615 -0.378043 -0.365367 0.091433 0.002847 -0.027871 0.027607 -0.075216 -0.246649 -0.022764 0.015265 0.047687 0.008516 -0.001905 -0.088499 0.033221 0.219482 -0.032678 -0.706111 0.001026 -0.040690 -0.046214 -0.161461 0.003989 -0.025152 -0.536586 -0.081746 -0.227613 -0.035758 0.028759 0.061814 -0.122261 -0.123300 0.514353 0.052780 0.045846 0.023325 -0.023420 0.006461 -0.040095 -0.001103 -0.013673 -0.020642 -0.017399 -0.028136 0.009900 -0.078755 0.323596 -0.489626 0.032668 -0.036460 0.009556 -0.014935 0.066872 0.012290 0.574098 0.328936 -0.680800 -0.004598 -0.030297 0.069909 0.006228 0.419871 0.994559 -0.022585 -0.001415 0.062523 0.119872 0.171171 -0.757132 0.004106 -0.026768 0.027759 0.064271 0.010082 0.011525 -0.045675 0.081389 0.400091 0.023309 0.015371 -0.036945 -0.060646 -0.062730 0.010139 -0.012636 0.021598 0.189708 -0.014155 -0.158948 0.089841 -0.116255 -0.136358 -0.475769 0.018355 0.035180 0.027325 0.050923 0.039223 0.030703 -0.232284 -0.068218 0.299757 -0.007812 0.032239 -0.016112 0.139587 -0.063100 0.279327 -0.191610 0.054714 0.311322 0.006061 -0.023027 0.025252 0.041226 -0.004026 0.000418 -0.027632 0.036855 0.012271 -0.153550 -0.243440 0.518713 0.007315 -0.015932 -0.015369 -0.002840 0.044154 0.014087 0.070069 -0.003748 -0.155745 -0.237214 0.121831 -0.306838 0.031166 -0.016197 0.019061 0.014324 -0.005499 -0.004561 -0.029571 0.012428 0.007748 0.265506 0.253926 0.481269 -0.002407 -0.030204 -0.004796 0.019719 -0.006741 -0.003464 0.045706 -0.152855 -0.892431 0.045388 -0.050059 0.117992 0.070321 0.137911 0.299918 -0.011543 0.014081 0.014712 0.015914 0.027156 0.011230 0.000962 -0.007417 0.007599 -0.036137 0.013268 -0.009979 0.074049 0.160774 0.016805 0.000328 -0.019038 -0.000912 0.121352 0.199708 -0.091422 0.024726 -0.029638 0.001382 -0.111558 0.008488 -0.066720 -0.018920 0.005175 0.012494 0.008460 -0.052657 0.081061 0.048938 0.009283 -0.004599 0.007196 -0.012822 0.030077 0.034430 -0.018625 -0.008369 -0.043225 -0.007974 0.011328 0.171152 0.152551 -0.118533 0.000531 -0.022298 0.001087 0.439362 0.058061 -0.242450 -0.006381 -0.023073 0.016741 0.211504 -0.005200 -0.334974 -0.014703 0.014923 0.010220 -0.001015 -0.037689 0.001326 -0.180320 -0.281698 -0.053416 -0.019941 0.006346 -0.035027 -0.004105 -0.045412 -0.154245 -0.138258 -0.297993 0.636077 0.009641 -0.008388 0.016064 -0.386678 -0.371970 0.075423 0.003269 -0.021939 0.026050 -0.075318 -0.247353 -0.023188 0.006427 0.041054 0.010000 0.001863 -0.042421 0.022104 0.218081 -0.031312 -0.695626 -0.003359 -0.024681 -0.007978 -0.057148 -0.004086 0.009906 -0.543567 -0.086166 -0.239206 -0.022126 0.009544 0.040207 -0.122387 -0.109414 0.502264 0.019942 0.031423 0.020639 -0.023668 0.007476 -0.041997 0.002728 -0.006505 0.003663 -0.003191 -0.036236 0.016237 -0.077238 0.322873 -0.484251 0.016309 -0.024242 0.017467 -0.013718 0.039344 0.020546 0.584515 0.331059 -0.679714 0.005912 -0.010896 0.049774 0.002998 0.427009 0.985490 -0.000008 0.002288 0.043253 0.120174 0.171966 -0.748713 0.003340 -0.033691 0.028489 0.025193 -0.002767 0.006108 -0.048231 0.080892 0.411095 0.009121 0.007469 0.017579 -0.023376 -0.030311 0.017195 0.054100 -0.029239 -0.299570 -0.014579 -0.156965 0.088614 -0.117738 -0.135476 -0.461535 0.015906 0.018914 0.018975 0.039718 0.028680 0.027535 -0.232212 -0.068334 0.298426 -0.000836 0.025801 -0.007357 0.139875 -0.062859 0.277806 -0.192176 0.054771 0.310371 0.002762 -0.018985 0.018239 0.033712 -0.005768 0.005039 -0.023090 0.028368 0.014086 -0.154116 -0.243447 0.517112 0.005518 -0.013366 -0.003494 -0.003222 0.026261 0.013318 0.070127 -0.003464 -0.152208 -0.235865 0.120826 -0.304603 0.021368 -0.009930 0.016602 0.012746 -0.002088 0.002130 -0.020295 0.011098 0.011831 0.265116 0.255097 0.479771 -0.001334 -0.024795 -0.002443 0.011913 -0.004982 -0.001884 0.045010 -0.153074 -0.894291 0.045336 -0.050050 0.115722 0.069452 0.136587 0.299735 -0.009745 0.010360 0.013519 0.021285 0.020420 0.012946 0.002365 -0.005339 0.006989 -0.027518 0.008891 -0.006604 0.073987 0.159645 0.015711 -0.001893 -0.015293 0.000549 0.121543 0.200051 -0.092256 0.017441 -0.017011 0.001112 -0.111253 0.008682 -0.068007 -0.011689 0.001198 0.012777 0.008692 -0.051558 0.083150 0.036952 0.008169 -0.004546 0.004396 -0.009439 0.024630 0.029460 -0.014219 -0.004739 -0.034672 -0.010321 0.004974 0.169229 0.152477 -0.117974 0.002167 -0.023021 0.005636 0.438913 0.055178 -0.241251 -0.005159 -0.022694 0.013275 0.211237 -0.005096 -0.335987 -0.013757 0.006831 0.006569 0.002846 -0.033118 0.004006 -0.180796 -0.281639 -0.054604 -0.019019 0.004089 -0.023776 -0.074245 0.010291 0.326053 -0.137203 -0.297937 0.635504 0.009745 -0.008688 0.014216 -0.386471 -0.373965 0.077169 0.000846 -0.015937 0.030797 -0.075464 -0.247710 -0.024753 0.003386 0.031921 0.009350 0.005508 -0.033149 0.022278 0.218226 -0.031734 -0.699737 -0.000527 -0.019055 -0.003528 -0.050272 -0.001035 0.009948 -0.543929 -0.085733 -0.237089 -0.015195 0.007889 0.038033 -0.120231 -0.105390 0.503307 0.020570 0.033016 0.024165 -0.023601 0.007652 -0.042935 -0.000197 -0.003216 0.001311 -0.002862 -0.030894 0.015665 -0.077720 0.323302 -0.486459 0.015958 -0.018746 0.018534 -0.013053 0.028100 0.021351 0.585024 0.331072 -0.679747 0.006946 -0.008568 0.038937 0.001699 0.428821 0.987514 0.001485 0.004007 0.040716 0.119819 0.172212 -0.751203 0.006699 -0.024332 0.024700 0.018934 -0.002429 0.009908 -0.048063 0.081279 0.410243 0.005354 0.005752 0.005132 -0.013375 -0.027621 0.016598 0.031081 -0.011621 -0.123574 -0.014784 -0.159355 0.091605 -0.115937 -0.136266 -0.466261 0.018655 0.025033 0.022218 0.041321 0.027965 0.029213 -0.232054 -0.069114 0.300554 -0.003840 0.026786 -0.011148 0.139429 -0.063229 0.278694 -0.191813 0.054487 0.311637 0.005014 -0.022390 0.018548 0.033092 -0.004750 0.003190 -0.024929 0.030806 0.014160 -0.153696 -0.244067 0.519723 0.005739 -0.013384 -0.009858 0.000092 0.034434 0.013913 0.070656 -0.003233 -0.152243 -0.235647 0.121695 -0.304100 0.024747 -0.012226 0.018708 0.009798 0.001453 0.000378 -0.026496 0.009414 0.011064 0.265419 0.253698 0.481440 -0.000368 -0.028788 -0.003306 0.014342 -0.006004 -0.001702 0.045401 -0.153122 -0.892390 0.045673 -0.050186 0.118467 0.069395 0.137480 0.303098 -0.008970 0.011232 0.014963 0.010215 0.020094 0.010969 0.002097 -0.005795 0.006472 -0.030701 0.009779 -0.004405 0.073939 0.160153 0.017348 -0.002649 -0.016914 0.000932 0.121561 0.199783 -0.090891 0.021980 -0.024175 0.002155 -0.111018 0.008448 -0.065983 -0.014342 0.002561 0.013382 0.009139 -0.052613 0.083587 0.042078 0.007671 -0.004164 0.006301 -0.011262 0.027106 0.031752 -0.016065 -0.005355 -0.035776 -0.008736 0.007484 0.168474 0.152147 -0.117037 -0.001494 -0.020004 0.004873 0.439248 0.059680 -0.240553 -0.005038 -0.018835 0.013963 0.211523 -0.005420 -0.334479 -0.014252 0.009349 0.006403 0.000718 -0.023678 0.004035 -0.180533 -0.282102 -0.053252 -0.017276 0.004392 -0.025005 -0.058678 -0.006542 0.165451 -0.135912 -0.298751 0.637364 0.010435 -0.007181 0.011726 -0.386416 -0.371752 0.078206 0.001365 -0.016199 0.025280 -0.075303 -0.247955 -0.023292 0.003761 0.042005 0.008996 0.003777 -0.033643 0.019300 0.218370 -0.032050 -0.696653 -0.000809 -0.018583 -0.011152 -0.031814 -0.001305 0.005251 -0.543093 -0.086137 -0.235502 -0.016306 0.008221 0.036004 -0.124176 -0.111265 0.504384 0.020101 0.029342 0.021009 -0.023348 0.007297 -0.041510 -0.000067 -0.005546 0.000053 -0.005194 -0.038630 0.014560 -0.077041 0.323046 -0.485776 0.012075 -0.019624 0.013032 -0.014360 0.030831 0.018616 0.583832 0.331742 -0.678599 0.005472 -0.009366 0.038489 0.005870 0.425958 0.988564 -0.000698 0.002670 0.036278 0.119820 0.171920 -0.750068 0.005282 -0.034319 0.022089 0.018703 -0.001827 0.007931 -0.048159 0.081277 0.409189 0.008590 0.006646 0.005895 -0.013344 -0.025486 0.010309 0.018777 -0.006058 -0.045591 -0.014464 -0.155410 0.088802 -0.116422 -0.134550 -0.454226 0.011075 0.000142 0.009765 0.020596 0.011253 0.021341 -0.232002 -0.068754 0.299220 0.007098 0.009183 0.001306 0.139957 -0.062915 0.278148 -0.192222 0.054535 0.311453 -0.001765 -0.014496 0.009730 0.007461 -0.007648 0.015680 -0.012688 0.012827 0.016418 -0.153865 -0.243772 0.517783 0.005716 -0.005563 0.008712 0.002027 0.004808 0.010044 0.070193 -0.002398 -0.147806 -0.234492 0.119605 -0.303473 0.006658 -0.002869 0.012399 0.005692 0.006830 0.011880 -0.009880 0.003389 0.013241 0.265290 0.254481 0.480399 0.000598 -0.003639 0.008138 -0.001850 -0.003341 0.004196 0.044837 -0.153367 -0.893727 0.045260 -0.050609 0.113365 0.068822 0.135071 0.303503 -0.003040 0.006160 0.015580 0.018679 0.009111 0.013299 0.003066 -0.004311 0.006092 -0.013487 0.003523 0.000605 0.074459 0.158654 0.015537 -0.004976 -0.009501 0.000665 0.121628 0.200033 -0.091291 0.010118 -0.005555 0.000507 -0.110835 0.008463 -0.067050 -0.002551 -0.004006 0.010238 0.008271 -0.050372 0.087991 0.018706 0.005708 -0.000123 0.002798 -0.004997 0.012912 0.018748 -0.005445 -0.001009 -0.018689 -0.011870 0.006048 0.165198 0.152593 -0.118995 0.004867 -0.015574 0.010498 0.439897 0.054323 -0.239562 -0.003175 -0.017331 0.010041 0.211528 -0.005625 -0.335257 -0.007576 -0.002906 0.003536 0.004687 -0.017080 0.006628 -0.180775 -0.281791 -0.054095 -0.015249 0.001712 -0.006873 -0.030535 -0.015288 0.075681 -0.133230 -0.297760 0.634859 0.005373 -0.006947 0.010385 -0.387906 -0.371105 0.078107 -0.001953 -0.008410 0.026867 -0.075604 -0.248335 -0.024016 -0.002092 0.027968 0.008485 0.009150 -0.015953 0.019951 0.218517 -0.030910 -0.698699 0.004671 -0.010317 -0.003551 -0.023909 -0.001504 0.009092 -0.542034 -0.086221 -0.234843 -0.006142 0.003907 0.028554 -0.120374 -0.104279 0.504760 0.014097 0.023378 0.019190 -0.024234 0.007910 -0.042264 -0.002612 -0.000211 0.001518 -0.004941 -0.024176 0.014163 -0.077622 0.323362 -0.486915 0.010758 -0.007754 0.015659 -0.012057 0.008164 0.017736 0.583720 0.331141 -0.677498 0.008711 -0.003217 0.018453 0.002785 0.425305 0.989549 0.002988 0.008017 0.027340 0.120568 0.172450 -0.752099 0.008254 -0.022111 0.016843 0.006655 -0.003031 0.007316 -0.048113 0.080542 0.408606 0.001781 0.001915 0.000536 0.002623 -0.017179 0.009614 0.001614 0.002019 0.069246 -0.014162 -0.150140 0.085781 -0.117377 -0.132874 -0.435402 0.005593 -0.035908 0.001286 -0.011213 -0.017922 0.005319 -0.231955 -0.068891 0.298740 0.023522 -0.013762 0.022832 0.140517 -0.062746 0.278456 -0.192991 0.054495 0.312163 -0.010975 -0.004516 -0.002362 -0.033892 -0.011020 0.032842 0.004549 -0.011480 0.020946 -0.154621 -0.244539 0.516490 0.004914 0.004975 0.036885 0.004865 -0.037376 0.005677 0.069944 -0.000584 -0.140653 -0.232532 0.116385 -0.301574 -0.020406 0.010493 0.004473 -0.003079 0.015936 0.027867 0.015054 -0.003583 0.017027 0.264935 0.255672 0.479860 0.002046 0.032393 0.024751 -0.025141 0.000531 0.013352 0.043955 -0.153845 -0.894227 0.044584 -0.051513 0.107791 0.067582 0.131433 0.306683 0.004791 -0.002102 0.017701 0.026336 -0.010039 0.015107 0.004937 -0.001952 0.004911 0.011736 -0.005516 0.008289 0.074769 0.156895 0.014802 -0.008324 -0.000766 0.001644 0.121794 0.200585 -0.090720 -0.006061 0.019375 -0.001999 -0.110270 0.008499 -0.066964 0.014172 -0.015178 0.005615 0.007144 -0.047500 0.095461 -0.014459 0.001966 0.002955 -0.002079 0.003185 -0.005096 -0.000475 0.009081 0.005063 0.007226 -0.014477 0.004288 0.160551 0.153114 -0.121236 0.009935 -0.009156 0.016811 0.440880 0.049574 -0.237371 0.000138 -0.011318 0.003223 0.211492 -0.006198 -0.335558 0.000649 -0.022031 -0.001415 0.009849 -0.002380 0.010144 -0.181279 -0.281848 -0.054656 -0.009805 -0.002654 0.027336 0.011258 -0.026871 -0.056050 -0.129849 -0.297445 0.632332 -0.001200 -0.004545 0.007815 -0.390478 -0.372441 0.079267 -0.006083 0.006832 0.024875 -0.076110 -0.249162 -0.024225 -0.011550 0.000756 0.006492 0.012835 0.016876 0.015476 0.218629 -0.030312 -0.701713 0.016001 0.004669 0.001823 0.000275 -0.001595 0.011614 -0.543010 -0.086955 -0.232653 0.007300 -0.002422 0.010118 -0.118659 -0.097407 0.506209 0.007872 0.013021 0.014032 -0.025280 0.008645 -0.042291 -0.007265 0.007272 0.004046 -0.004355 -0.005254 0.014745 -0.078386 0.323874 -0.489751 0.012359 0.012006 0.014904 -0.005983 -0.024145 0.013978 0.585857 0.330860 -0.673397 0.012681 0.001891 -0.010749 0.002110 0.426226 0.992097 0.007033 0.011523 0.008498 0.120917 0.173176 -0.756452 0.010537 0.004285 0.002433 -0.013952 -0.006045 0.009442 -0.047943 0.079848 0.408646 -0.011827 -0.005421 -0.009746 0.027288 -0.004534 0.005604 0.018987 -0.015436 -0.076049 -0.012706 -0.149562 0.087843 -0.117088 -0.132311 -0.426896 -0.003147 -0.030191 0.000929 -0.023943 -0.023808 0.003848 -0.231843 -0.069406 0.298759 0.018931 -0.020900 0.026847 0.140450 -0.062835 0.278078 -0.193316 0.054278 0.312493 -0.008398 -0.002264 -0.006043 -0.037947 -0.008888 0.029456 0.009921 -0.019539 0.018433 -0.154329 -0.244504 0.516886 0.005373 0.006914 0.037297 0.007239 -0.038645 0.003447 0.069787 -0.000230 -0.138322 -0.232055 0.115913 -0.297920 -0.021925 0.012780 0.002098 -0.006531 0.013626 0.031384 0.015158 -0.009039 0.012793 0.264919 0.255144 0.480247 0.001067 0.023217 0.026026 -0.018628 -0.001067 0.015413 0.043851 -0.154050 -0.893993 0.045209 -0.052424 0.108884 0.067420 0.131120 0.308908 0.008772 -0.004027 0.016472 0.016149 -0.020592 0.013657 0.003124 -0.000331 0.004470 0.020761 -0.008733 0.013564 0.075221 0.155867 0.015463 -0.008093 0.004200 0.004818 0.121928 0.200503 -0.090447 -0.008639 0.021702 0.001970 -0.109955 0.008434 -0.066849 0.016847 -0.014664 0.003552 0.005873 -0.047234 0.097624 -0.023039 -0.000639 0.004640 -0.000493 0.002401 -0.006587 -0.008410 0.010845 0.010130 0.015434 -0.009975 0.004668 0.158085 0.152899 -0.120069 0.012141 -0.002304 0.018083 0.440801 0.047594 -0.235062 0.004993 -0.009123 0.000878 0.211845 -0.006637 -0.335323 0.005383 -0.028973 -0.001995 0.007600 0.013404 0.013542 -0.181573 -0.282078 -0.054395 -0.008240 -0.002685 0.037552 -0.004373 -0.000429 0.082270 -0.128426 -0.295416 0.633387 -0.008299 -0.005869 0.005823 -0.391180 -0.369500 0.081708 -0.003952 0.006243 0.018718 -0.076479 -0.249588 -0.024587 -0.012080 -0.000320 0.007011 0.012358 0.027255 0.014659 0.219034 -0.030255 -0.701929 0.017050 0.009573 0.003921 0.024494 -0.002239 0.012130 -0.539470 -0.087396 -0.229981 0.007878 -0.007636 0.000714 -0.116454 -0.095310 0.509544 -0.000230 0.003502 0.005631 -0.025169 0.008858 -0.041735 -0.007216 0.008800 0.003413 -0.000132 -0.000892 0.015262 -0.078857 0.323951 -0.490677 0.006094 0.016655 0.013594 -0.000571 -0.028025 0.014279 0.582622 0.329358 -0.672130 0.007062 0.005109 -0.017436 0.000782 0.422628 0.993727 0.011206 0.008859 -0.003318 0.120872 0.173235 -0.756602 0.010274 0.001612 -0.001694 -0.023427 -0.006196 0.016394 -0.047465 0.079730 0.406422 -0.010827 -0.006996 -0.013953 0.031913 0.002953 0.004233 0.025141 -0.022448 -0.129643 -0.012296 -0.149162 0.088327 -0.117396 -0.131773 -0.423641 -0.004906 -0.027294 0.004216 -0.025064 -0.026117 0.006563 -0.231883 -0.069640 0.298541 0.018581 -0.024403 0.029292 0.140539 -0.062755 0.278109 -0.193526 0.054077 0.312596 -0.007342 -0.001621 -0.006648 -0.038582 -0.008081 0.028236 0.012128 -0.021978 0.017519 -0.154621 -0.244477 0.516405 0.005468 0.007072 0.038466 0.007498 -0.039517 0.003444 0.069521 -0.000492 -0.137624 -0.231941 0.115263 -0.296912 -0.022453 0.013703 0.000975 -0.007344 0.012825 0.032914 0.015493 -0.009738 0.011509 0.264761 0.255590 0.480112 0.000298 0.019762 0.025825 -0.016192 -0.001746 0.015823 0.043409 -0.154112 -0.894417 0.045109 -0.052372 0.108528 0.067425 0.130778 0.309291 0.009949 -0.004840 0.015987 0.013729 -0.023946 0.012652 0.002437 0.000092 0.003873 0.023739 -0.009833 0.013872 0.075199 0.155013 0.016026 -0.008002 0.005411 0.005903 0.121921 0.200551 -0.090550 -0.010019 0.022652 0.003092 -0.109818 0.008391 -0.067464 0.017469 -0.014651 0.002887 0.005301 -0.047069 0.098260 -0.025972 -0.001667 0.006350 -0.000021 0.002252 -0.008012 -0.010924 0.011272 0.011837 0.018058 -0.009066 0.003947 0.158816 0.152619 -0.119704 0.013022 0.000687 0.019506 0.440895 0.047287 -0.234112 0.007719 -0.006684 0.001914 0.211913 -0.006824 -0.335493 0.006806 -0.030191 -0.002163 0.007143 0.018456 0.014220 -0.181783 -0.282290 -0.054500 -0.005714 -0.002876 0.039978 -0.009038 0.009248 0.137693 -0.129904 -0.295241 0.634290 -0.009232 -0.005524 0.007207 -0.391920 -0.371768 0.082581 -0.002159 0.007264 0.015813 -0.076830 -0.249738 -0.025006 -0.011615 -0.003054 0.006429 0.011442 0.029576 0.014000 0.218960 -0.030490 -0.703504 0.018292 0.011593 0.006694 0.030202 -0.002233 0.011225 -0.539590 -0.087325 -0.229749 0.007562 -0.009150 -0.004678 -0.114268 -0.095156 0.511319 -0.003118 -0.001975 0.001982 -0.025134 0.008919 -0.041965 -0.006623 0.009066 0.003530 0.000555 0.001861 0.015286 -0.079172 0.324137 -0.490904 0.006043 0.017289 0.009503 0.000964 -0.028827 0.014182 0.582589 0.329533 -0.671317 0.004582 0.006330 -0.019880 -0.001467 0.424599 0.994301 0.011454 0.006235 -0.007218 0.120639 0.173148 -0.757713 0.008996 0.002630 -0.002180 -0.026712 -0.005694 0.017581 -0.047393 0.079624 0.407019 -0.014103 -0.007023 -0.016865 0.032307 0.006055 0.004231 0.017016 -0.017441 -0.076687 -0.011430 -0.148662 0.089458 -0.117856 -0.131689 -0.421090 -0.006318 -0.019375 0.006738 -0.023743 -0.024379 0.007385 -0.231814 -0.069699 0.298229 0.013838 -0.023588 0.024726 0.140549 -0.062681 0.278081 -0.193795 0.054116 0.312414 -0.004552 0.000122 -0.005810 -0.034575 -0.006195 0.024744 0.012533 -0.023165 0.014980 -0.154638 -0.244671 0.516232 0.005736 0.006098 0.035551 0.006102 -0.033748 0.001713 0.069420 -0.000083 -0.137343 -0.231990 0.115373 -0.294815 -0.018335 0.013085 0.000038 -0.005880 0.007152 0.031858 0.014513 -0.011012 0.008318 0.264711 0.255635 0.479943 -0.001550 0.011746 0.025315 -0.008310 -0.003330 0.014979 0.043282 -0.154136 -0.894458 0.045497 -0.052573 0.109374 0.067651 0.130834 0.309856 0.010463 -0.005186 0.013381 0.010420 -0.025867 0.011916 0.000848 0.000651 0.003760 0.025032 -0.010064 0.013307 0.075234 0.154878 0.016326 -0.006297 0.006917 0.007108 0.122008 0.200815 -0.090862 -0.010459 0.020801 0.005317 -0.109551 0.008509 -0.067789 0.016204 -0.012325 0.002271 0.004588 -0.047127 0.098127 -0.025630 -0.003308 0.007697 0.000905 0.000941 -0.005483 -0.013263 0.009682 0.012972 0.017430 -0.006344 0.005042 0.157832 0.152452 -0.118889 0.015002 0.003649 0.019552 0.440790 0.047240 -0.233133 0.009922 -0.006999 0.000361 0.211889 -0.006779 -0.335746 0.008070 -0.032613 -0.001996 0.006631 0.019641 0.014736 -0.181834 -0.282191 -0.054661 -0.006153 -0.003124 0.039394 0.003123 0.010058 0.093623 -0.129572 -0.294591 0.635031 -0.011442 -0.005663 0.007421 -0.392222 -0.370027 0.083489 -0.000829 0.005227 0.011868 -0.076822 -0.249651 -0.025332 -0.010296 -0.007871 0.007943 0.010537 0.029837 0.015067 0.219054 -0.030076 -0.703717 0.018549 0.012953 0.009461 0.030953 -0.002886 0.011702 -0.538591 -0.087312 -0.229614 0.005613 -0.012386 -0.008267 -0.114401 -0.095103 0.512806 -0.006377 -0.004193 0.000738 -0.025415 0.009012 -0.042081 -0.006572 0.010599 0.003450 0.001510 0.004558 0.014536 -0.079359 0.324235 -0.491825 0.006140 0.015839 0.008713 0.003567 -0.029688 0.014475 0.581634 0.329437 -0.670747 0.001116 0.007348 -0.018610 -0.001086 0.422771 0.994100 0.012164 0.003817 -0.010126 0.120882 0.173191 -0.758877 0.006479 0.004457 -0.002376 -0.030693 -0.005369 0.021199 -0.047121 0.079408 0.406282 -0.015938 -0.006620 -0.018032 0.029272 0.006704 0.005262 -0.007911 -0.001847 0.089762 -0.008869 -0.147775 0.094003 -0.118770 -0.130624 -0.411289 -0.012227 0.001974 0.009576 -0.021969 -0.019318 0.009940 -0.231754 -0.070117 0.298184 0.000277 -0.026287 0.027319 0.140750 -0.062465 0.278816 -0.194414 0.053916 0.312850 0.004360 0.003689 -0.002424 -0.026891 -0.002337 0.017718 0.015496 -0.026177 0.010652 -0.155018 -0.244839 0.516228 0.007832 0.002053 0.027435 0.003925 -0.017596 0.000406 0.068803 -0.000036 -0.135144 -0.232107 0.115394 -0.287447 -0.006717 0.010886 -0.000686 -0.003315 -0.007308 0.031604 0.007902 -0.014246 -0.000866 0.264377 0.256070 0.480208 -0.006907 -0.011997 0.022830 0.015201 -0.007411 0.013401 0.042206 -0.154287 -0.894184 0.046071 -0.053070 0.113736 0.068032 0.130884 0.311444 0.012125 -0.007214 0.007781 -0.002161 -0.033675 0.009845 -0.003176 0.003335 0.003319 0.028308 -0.010972 0.013166 0.075413 0.153309 0.018937 -0.000879 0.010733 0.011183 0.122055 0.201413 -0.090923 -0.011217 0.014808 0.010603 -0.108794 0.008736 -0.068605 0.012189 -0.004593 0.000456 0.002362 -0.047571 0.098839 -0.023977 -0.007037 0.013177 0.002981 -0.003365 0.003117 -0.017932 0.002599 0.018050 0.016436 0.001195 0.008565 0.158767 0.151105 -0.113628 0.017195 0.010720 0.015091 0.439920 0.048282 -0.227587 0.014811 0.001242 -0.002570 0.212081 -0.006874 -0.335362 0.011444 -0.028130 0.002914 0.002210 0.033069 0.014704 -0.182310 -0.282273 -0.053795 0.001878 -0.003393 0.033528 0.035609 0.009848 -0.072126 -0.132938 -0.292084 0.640616 -0.017104 -0.000840 0.006933 -0.393340 -0.369825 0.089541 0.002479 0.001240 0.000168 -0.077476 -0.249783 -0.026063 0.000004 -0.013783 0.005217 0.004989 0.020394 0.016698 0.219150 -0.030079 -0.705396 0.013594 0.010016 0.012840 0.040769 -0.003940 0.004523 -0.535775 -0.086847 -0.226894 -0.002872 -0.012640 -0.024039 -0.110451 -0.096397 0.522393 -0.009266 -0.018697 -0.008198 -0.025249 0.009189 -0.041516 -0.000430 0.008786 0.002562 0.007863 0.012106 0.008954 -0.079971 0.324500 -0.493116 0.002279 0.007881 -0.000395 0.014682 -0.025627 0.009115 0.578357 0.328588 -0.668094 -0.013105 0.009120 -0.009455 -0.004578 0.421832 0.995415 0.007919 -0.007756 -0.019219 0.120519 0.173085 -0.762070 -0.002882 0.004425 -0.000627 -0.029818 -0.003965 0.028525 -0.046821 0.079458 0.406401 -0.018337 -0.003754 -0.021749 0.014111 0.012973 0.004176 -0.013000 0.001443 0.124235 -0.008269 -0.147373 0.094514 -0.119387 -0.130597 -0.409649 -0.013227 0.006123 0.012107 -0.020638 -0.018445 0.010950 -0.231676 -0.070292 0.298064 -0.002707 -0.026880 0.027889 0.140795 -0.062496 0.279025 -0.194590 0.053900 0.312769 0.005557 0.003830 -0.001338 -0.024131 -0.001114 0.015484 0.015641 -0.026628 0.009367 -0.155054 -0.245269 0.516310 0.007942 0.000794 0.027562 0.002195 -0.014404 -0.000594 0.068834 0.000287 -0.134718 -0.232036 0.115394 -0.285980 -0.004304 0.010541 -0.000732 -0.001957 -0.010444 0.030552 0.008026 -0.014296 -0.003001 0.264353 0.256028 0.480227 -0.007991 -0.016726 0.021890 0.020188 -0.008024 0.013044 0.042130 -0.154331 -0.894179 0.046397 -0.053263 0.114474 0.068090 0.130731 0.312184 0.012403 -0.007763 0.007129 -0.003498 -0.035082 0.009046 -0.003896 0.003351 0.003342 0.029236 -0.011174 0.011794 0.075331 0.153188 0.019326 0.000317 0.010867 0.012010 0.122153 0.201605 -0.090957 -0.011643 0.014270 0.011779 -0.108520 0.008780 -0.068598 0.010950 -0.003006 0.000422 0.001969 -0.047584 0.098931 -0.023699 -0.008551 0.014340 0.003541 -0.004098 0.005143 -0.019292 0.001007 0.018948 0.015722 0.002289 0.009842 0.158325 0.150736 -0.113033 0.017297 0.011059 0.016530 0.439800 0.048895 -0.226925 0.015677 0.002793 -0.003335 0.212059 -0.006892 -0.335660 0.011976 -0.027457 0.003105 -0.000191 0.032997 0.014605 -0.182382 -0.282319 -0.054123 0.003844 -0.003518 0.031173 0.044298 0.010584 -0.105380 -0.132907 -0.292128 0.641271 -0.017182 0.000797 0.008477 -0.393457 -0.368499 0.090274 0.005124 0.000095 -0.003458 -0.077434 -0.249763 -0.026264 0.001807 -0.021304 0.004550 0.004286 0.019040 0.016102 0.219290 -0.029927 -0.705797 0.012455 0.010066 0.012884 0.039468 -0.003969 0.003101 -0.534993 -0.086792 -0.227012 -0.005456 -0.013060 -0.027604 -0.110897 -0.097114 0.523467 -0.011240 -0.021356 -0.010221 -0.025438 0.009169 -0.041763 0.000534 0.009858 0.002837 0.009439 0.015076 0.008504 -0.080119 0.324538 -0.494221 0.002756 0.006051 0.002119 0.015586 -0.024175 0.007665 0.577907 0.328850 -0.667699 -0.015879 0.009402 -0.007356 -0.003967 0.420295 0.995178 0.006912 -0.010043 -0.019854 0.120638 0.173047 -0.763537 -0.004945 0.010003 -0.000647 -0.029801 -0.002876 0.029853 -0.046547 0.079251 0.405590 -0.020363 -0.002785 -0.019768 0.011462 0.014788 0.003419 -0.002442 -0.009058 0.026951 -0.007296 -0.147730 0.097591 -0.120097 -0.130361 -0.407350 -0.015667 0.015607 0.012755 -0.014458 -0.012531 0.012230 -0.231590 -0.070433 0.297849 -0.009767 -0.023468 0.023953 0.140837 -0.062254 0.279266 -0.194871 0.053980 0.312522 0.010717 0.005685 0.000461 -0.009173 0.001741 0.006406 0.012819 -0.023255 0.004962 -0.155200 -0.245250 0.516216 0.006019 -0.002336 0.016669 -0.000192 0.000316 -0.000827 0.068782 0.000145 -0.133475 -0.232149 0.116312 -0.281796 0.004781 0.006791 0.000350 0.001883 -0.018515 0.024176 0.001729 -0.012909 -0.007478 0.264222 0.256373 0.480037 -0.009312 -0.030589 0.017623 0.026056 -0.008967 0.010648 0.041582 -0.154214 -0.894251 0.046700 -0.053028 0.118083 0.068647 0.131562 0.312304 0.012078 -0.008834 0.001562 -0.010187 -0.033140 0.007697 -0.003865 0.003351 0.002874 0.025000 -0.010050 0.010468 0.075506 0.152885 0.020791 0.003653 0.011212 0.012178 0.122244 0.202104 -0.091438 -0.008934 0.007348 0.013580 -0.108046 0.009108 -0.069306 0.006647 0.002476 0.000801 0.001320 -0.048516 0.098326 -0.017133 -0.010162 0.015711 0.004520 -0.005861 0.011682 -0.018226 -0.004238 0.018444 0.011304 0.005752 0.011157 0.159395 0.150036 -0.109639 0.015911 0.010596 0.014952 0.439268 0.051333 -0.224283 0.015800 0.005678 -0.001270 0.212076 -0.006644 -0.335785 0.011872 -0.024156 0.003131 -0.003324 0.034316 0.014542 -0.182505 -0.282056 -0.053953 0.002275 -0.004288 0.022870 0.030720 0.028303 -0.008643 -0.135018 -0.290884 0.643969 -0.017826 0.003002 0.010525 -0.393435 -0.368457 0.093108 0.009991 -0.002948 -0.007223 -0.077551 -0.249463 -0.026965 0.005591 -0.019506 0.003683 0.001685 0.008977 0.017290 0.219321 -0.029915 -0.707184 0.009166 0.007939 0.016619 0.038867 -0.006304 0.004362 -0.533832 -0.086299 -0.225793 -0.007479 -0.014134 -0.026262 -0.108842 -0.099771 0.527866 -0.012264 -0.023590 -0.013005 -0.025134 0.009284 -0.041768 0.003015 0.008242 0.001761 0.013212 0.011863 0.008937 -0.080358 0.324701 -0.495399 0.004595 0.002998 -0.001445 0.017533 -0.017723 0.008569 0.575949 0.328770 -0.667298 -0.016880 0.007292 0.003031 -0.005896 0.420312 0.995854 0.003494 -0.014816 -0.017387 0.120402 0.172966 -0.765587 -0.009490 0.006054 0.003760 -0.024529 -0.000884 0.031667 -0.046235 0.079516 0.405318 -0.018966 -0.001337 -0.020487 0.000986 0.013947 0.007160</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="9.4395"
                           zFract="0.42481998"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           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="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2200"
                           xFract="0.5000"
                           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="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a28 a51" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a51" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09145"
                           xFract="0.24780213"
                           y3="2.09921"
                           yFract="0.24872156"
                           z3="9.42349"
                           zFract="0.42409946"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34107"
                           xFract="0.75131161"
                           y3="2.11096"
                           yFract="0.25011374"
                           z3="6.34074"
                           zFract="0.28536184"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34168"
                           xFract="0.75138389"
                           y3="0.00486"
                           yFract="0.00057583"
                           z3="8.42196"
                           zFract="0.3790261"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21504"
                           xFract="0.49941232"
                           y3="-0.01345"
                           yFract="-0.0015936"
                           z3="6.34003"
                           zFract="0.28532988"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.00758"
                           xFract="0.0008981"
                           y3="0.00168"
                           yFract="0.00019905"
                           z3="6.34511"
                           zFract="0.28555851"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28784"
                           xFract="0.50803791"
                           y3="2.08692"
                           yFract="0.2472654"
                           z3="8.39431"
                           zFract="0.37778173"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21252"
                           xFract="0.49911374"
                           y3="6.35295"
                           yFract="0.75271919"
                           z3="8.41545"
                           zFract="0.37873312"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22441"
                           xFract="0.50052251"
                           y3="4.23691"
                           yFract="0.50200355"
                           z3="6.31274"
                           zFract="0.28410171"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11216"
                           xFract="0.25025592"
                           y3="4.23683"
                           yFract="0.50199408"
                           z3="4.21961"
                           zFract="0.18990144"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22956"
                           xFract="0.5011327"
                           y3="2.10746"
                           yFract="0.24969905"
                           z3="4.21428"
                           zFract="0.18966157"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.3533"
                           xFract="0.75276066"
                           y3="4.21508"
                           yFract="0.49941706"
                           z3="8.41418"
                           zFract="0.37867597"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31891"
                           xFract="0.74868602"
                           y3="-0.00675"
                           yFract="-0.00079976"
                           z3="4.21002"
                           zFract="0.18946985"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10448"
                           xFract="0.24934597"
                           y3="-0.06419"
                           yFract="-0.00760545"
                           z3="8.46052"
                           zFract="0.38076148"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32779"
                           xFract="0.74973815"
                           y3="6.32769"
                           yFract="0.7497263"
                           z3="6.33138"
                           zFract="0.28494059"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11285"
                           xFract="0.25033768"
                           y3="6.33439"
                           yFract="0.75052014"
                           z3="6.3291"
                           zFract="0.28483798"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07079"
                           xFract="-0.00838744"
                           y3="2.10453"
                           yFract="0.2493519"
                           z3="8.46385"
                           zFract="0.38091134"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.0039"
                           xFract="-0.00046209"
                           y3="4.21987"
                           yFract="0.4999846"
                           z3="6.33564"
                           zFract="0.28513231"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21675"
                           xFract="0.49961493"
                           y3="6.33027"
                           yFract="0.75003199"
                           z3="4.22462"
                           zFract="0.19012691"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32666"
                           xFract="0.74960427"
                           y3="4.2237"
                           yFract="0.50043839"
                           z3="4.2153"
                           zFract="0.18970747"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11883"
                           xFract="0.25104621"
                           y3="-0.01012"
                           yFract="-0.00119905"
                           z3="4.23041"
                           zFract="0.19038749"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.00578"
                           xFract="-0.00068483"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="4.23116"
                           zFract="0.19042124"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00536"
                           xFract="0.00063507"
                           y3="6.34072"
                           yFract="0.75127014"
                           z3="8.44267"
                           zFract="0.37995815"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09476"
                           xFract="0.24819431"
                           y3="2.10134"
                           yFract="0.24897393"
                           z3="6.26534"
                           zFract="0.2819685"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0008"
                           xFract="0.00009479"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="4.22913"
                           zFract="0.19032988"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09142"
                           xFract="0.24779858"
                           y3="4.29858"
                           yFract="0.50931043"
                           z3="8.41592"
                           zFract="0.37875428"/>
                     <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="-0.00548"
                           xFract="-0.00064929"
                           y3="2.08601"
                           yFract="0.24715758"
                           z3="6.29455"
                           zFract="0.28328308"/>
                     <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="2.11335"
                           xFract="0.25039692"
                           y3="0.02564"
                           yFract="0.00303791"
                           z3="6.30302"
                           zFract="0.28366427"/>
                     <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="-0.02162"
                           xFract="-0.00256161"
                           y3="-0.00038"
                           yFract="-0.00004502"
                           z3="4.23446"
                           zFract="0.19056976"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.00625"
                           xFract="-0.00074052"
                           y3="0.00397"
                           yFract="0.00047038"
                           z3="8.44233"
                           zFract="0.37994284"/>
                     <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="2.13275"
                           xFract="0.2526955"
                           y3="2.13001"
                           yFract="0.25237085"
                           z3="4.19504"
                           zFract="0.18879568"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15501"
                           xFract="0.25533294"
                           y3="2.12106"
                           yFract="0.25131043"
                           z3="8.5623"
                           zFract="0.38534203"/>
                     <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="4.2198"
                           xFract="0.4999763"
                           y3="2.11744"
                           yFract="0.25088152"
                           z3="6.33962"
                           zFract="0.28531143"/>
                     <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="6.32648"
                           xFract="0.74958294"
                           y3="0.0278"
                           yFract="0.00329384"
                           z3="6.33509"
                           zFract="0.28510756"/>
                     <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="4.23891"
                           xFract="0.50224052"
                           y3="0.0227"
                           yFract="0.00268957"
                           z3="4.2097"
                           zFract="0.18945545"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22325"
                           xFract="0.50038507"
                           y3="0.01339"
                           yFract="0.00158649"
                           z3="8.45042"
                           zFract="0.38030693"/>
                     <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="6.31067"
                           xFract="0.74770972"
                           y3="2.08446"
                           yFract="0.24697393"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3057"
                           xFract="0.74712085"
                           y3="2.1029"
                           yFract="0.24915877"
                           z3="8.44175"
                           zFract="0.37991674"/>
                     <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="-0.00548"
                           xFract="-0.00064929"
                           y3="6.35221"
                           yFract="0.75263152"
                           z3="6.32002"
                           zFract="0.28442934"/>
                     <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="2.14191"
                           xFract="0.25378081"
                           y3="4.18954"
                           yFract="0.496391"
                           z3="6.32219"
                           zFract="0.284527"/>
                     <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="0.02271"
                           xFract="0.00269076"
                           y3="4.22013"
                           yFract="0.5000154"
                           z3="4.20256"
                           zFract="0.18913411"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00962"
                           xFract="0.00113981"
                           y3="4.21098"
                           yFract="0.49893128"
                           z3="8.46522"
                           zFract="0.380973"/>
                     <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="2.09822"
                           xFract="0.24860427"
                           y3="6.31649"
                           yFract="0.74839929"
                           z3="4.21713"
                           zFract="0.18978983"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11924"
                           xFract="0.25109479"
                           y3="6.32358"
                           yFract="0.74923934"
                           z3="8.46487"
                           zFract="0.38095725"/>
                     <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="4.22545"
                           xFract="0.50064573"
                           y3="6.33095"
                           yFract="0.75011256"
                           z3="6.35871"
                           zFract="0.28617057"/>
                     <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="6.30194"
                           xFract="0.74667536"
                           y3="4.19525"
                           yFract="0.49706754"
                           z3="6.3487"
                           zFract="0.28572007"/>
                     <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="4.19655"
                           xFract="0.49722156"
                           y3="4.19213"
                           yFract="0.49669787"
                           z3="4.23856"
                           zFract="0.19075428"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22149"
                           xFract="0.50017654"
                           y3="4.2024"
                           yFract="0.49791469"
                           z3="8.46387"
                           zFract="0.38091224"/>
                     <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="6.34166"
                           xFract="0.75138152"
                           y3="6.35254"
                           yFract="0.75267062"
                           z3="4.19422"
                           zFract="0.18875878"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31702"
                           xFract="0.74846209"
                           y3="6.33407"
                           yFract="0.75048223"
                           z3="8.47015"
                           zFract="0.38119487"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09503"
                           xFract="0.2482263"
                           y3="2.10129"
                           yFract="0.24896801"
                           z3="9.42658"
                           zFract="0.42423852"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33894"
                           xFract="0.75105924"
                           y3="2.11077"
                           yFract="0.25009123"
                           z3="6.33858"
                           zFract="0.28526463"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33942"
                           xFract="0.75111611"
                           y3="0.00392"
                           yFract="0.00046445"
                           z3="8.42536"
                           zFract="0.37917912"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2160"
                           xFract="0.49952607"
                           y3="-0.01085"
                           yFract="-0.00128555"
                           z3="6.33801"
                           zFract="0.28523897"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.00611"
                           xFract="0.00072393"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="6.34212"
                           zFract="0.28542394"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27475"
                           xFract="0.50648697"
                           y3="2.09138"
                           yFract="0.24779384"
                           z3="8.40305"
                           zFract="0.37817507"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21397"
                           xFract="0.49928555"
                           y3="6.34852"
                           yFract="0.75219431"
                           z3="8.42012"
                           zFract="0.37894329"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22356"
                           xFract="0.5004218"
                           y3="4.23364"
                           yFract="0.50161611"
                           z3="6.31599"
                           zFract="0.28424797"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11175"
                           xFract="0.25020735"
                           y3="4.23358"
                           yFract="0.501609"
                           z3="4.21965"
                           zFract="0.18990324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22771"
                           xFract="0.50091351"
                           y3="2.10795"
                           yFract="0.24975711"
                           z3="4.21535"
                           zFract="0.18970972"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.34881"
                           xFract="0.75222867"
                           y3="4.21603"
                           yFract="0.49952962"
                           z3="8.41909"
                           zFract="0.37889694"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.32105"
                           xFract="0.74893957"
                           y3="-0.00544"
                           yFract="-0.00064455"
                           z3="4.21191"
                           zFract="0.18955491"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10555"
                           xFract="0.24947275"
                           y3="-0.0518"
                           yFract="-0.00613744"
                           z3="8.45648"
                           zFract="0.38057966"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32821"
                           xFract="0.74978791"
                           y3="6.32814"
                           yFract="0.74977962"
                           z3="6.33104"
                           zFract="0.28492529"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1123"
                           xFract="0.25027251"
                           y3="6.33354"
                           yFract="0.75041943"
                           z3="6.3292"
                           zFract="0.28484248"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.05712"
                           xFract="-0.00676777"
                           y3="2.10558"
                           yFract="0.2494763"
                           z3="8.45917"
                           zFract="0.38070072"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00315"
                           xFract="-0.00037322"
                           y3="4.21989"
                           yFract="0.49998697"
                           z3="6.33447"
                           zFract="0.28507966"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21738"
                           xFract="0.49968957"
                           y3="6.33022"
                           yFract="0.75002607"
                           z3="4.22369"
                           zFract="0.19008506"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32731"
                           xFract="0.74968128"
                           y3="4.22298"
                           yFract="0.50035308"
                           z3="4.21617"
                           zFract="0.18974662"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11713"
                           xFract="0.25084479"
                           y3="-0.00817"
                           yFract="-0.00096801"
                           z3="4.22836"
                           zFract="0.19029523"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.00466"
                           xFract="-0.00055213"
                           y3="2.11452"
                           yFract="0.25053555"
                           z3="4.22897"
                           zFract="0.19032268"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="6.33865"
                           yFract="0.75102488"
                           z3="8.44208"
                           zFract="0.37993159"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.0977"
                           xFract="0.24854265"
                           y3="2.10301"
                           yFract="0.2491718"
                           z3="6.27774"
                           zFract="0.28252655"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00065"
                           xFract="0.00007701"
                           y3="6.32531"
                           yFract="0.74944431"
                           z3="4.22733"
                           zFract="0.19024887"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09501"
                           xFract="0.24822393"
                           y3="4.28342"
                           yFract="0.50751422"
                           z3="8.42049"
                           zFract="0.37895995"/>
                     <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="-0.00442"
                           xFract="-0.0005237"
                           y3="2.09064"
                           yFract="0.24770616"
                           z3="6.30132"
                           zFract="0.28358776"/>
                     <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="2.11271"
                           xFract="0.25032109"
                           y3="0.02069"
                           yFract="0.00245142"
                           z3="6.30814"
                           zFract="0.28389469"/>
                     <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="-0.01745"
                           xFract="-0.00206754"
                           y3="-0.0003"
                           yFract="-0.00003555"
                           z3="4.23163"
                           zFract="0.19044239"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.00504"
                           xFract="-0.00059716"
                           y3="0.0032"
                           yFract="0.00037915"
                           z3="8.44181"
                           zFract="0.37991944"/>
                     <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="2.12836"
                           xFract="0.25217536"
                           y3="2.12615"
                           yFract="0.25191351"
                           z3="4.19982"
                           zFract="0.1890108"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14633"
                           xFract="0.2543045"
                           y3="2.11893"
                           yFract="0.25105806"
                           z3="8.53862"
                           zFract="0.38427633"/>
                     <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="4.21984"
                           xFract="0.49998104"
                           y3="2.11601"
                           yFract="0.25071209"
                           z3="6.33769"
                           zFract="0.28522457"/>
                     <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="6.32716"
                           xFract="0.74966351"
                           y3="0.02243"
                           yFract="0.00265758"
                           z3="6.33402"
                           zFract="0.28505941"/>
                     <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="4.23526"
                           xFract="0.50180806"
                           y3="0.01832"
                           yFract="0.00217062"
                           z3="4.21165"
                           zFract="0.1895432"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22263"
                           xFract="0.50031161"
                           y3="0.0108"
                           yFract="0.00127962"
                           z3="8.44833"
                           zFract="0.38021287"/>
                     <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="6.3144"
                           xFract="0.74815166"
                           y3="2.08939"
                           yFract="0.24755806"
                           z3="4.23816"
                           zFract="0.19073627"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31039"
                           xFract="0.74767654"
                           y3="2.10427"
                           yFract="0.24932109"
                           z3="8.44134"
                           zFract="0.37989829"/>
                     <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="-0.00442"
                           xFract="-0.0005237"
                           y3="6.34792"
                           yFract="0.75212322"
                           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="2.13575"
                           xFract="0.25305095"
                           y3="4.19542"
                           yFract="0.49708768"
                           z3="6.32362"
                           zFract="0.28459136"/>
                     <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="0.01833"
                           xFract="0.0021718"
                           y3="4.2201"
                           yFract="0.50001185"
                           z3="4.20589"
                           zFract="0.18928398"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00777"
                           xFract="0.00092062"
                           y3="4.21272"
                           yFract="0.49913744"
                           z3="8.46028"
                           zFract="0.38075068"/>
                     <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="2.10049"
                           xFract="0.24887322"
                           y3="6.3191"
                           yFract="0.74870853"
                           z3="4.21764"
                           zFract="0.18981278"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11746"
                           xFract="0.25088389"
                           y3="6.32482"
                           yFract="0.74938626"
                           z3="8.45999"
                           zFract="0.38073762"/>
                     <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="4.2244"
                           xFract="0.50052133"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="6.35309"
                           zFract="0.28591764"/>
                     <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="6.30735"
                           xFract="0.74731635"
                           y3="4.20003"
                           yFract="0.49763389"
                           z3="6.34501"
                           zFract="0.28555401"/>
                     <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="4.20107"
                           xFract="0.49775711"
                           y3="4.19751"
                           yFract="0.49733531"
                           z3="4.23494"
                           zFract="0.19059136"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2212"
                           xFract="0.50014218"
                           y3="4.2058"
                           yFract="0.49831754"
                           z3="8.45918"
                           zFract="0.38070117"/>
                     <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="6.33941"
                           xFract="0.75111493"
                           y3="6.34819"
                           yFract="0.75215521"
                           z3="4.19916"
                           zFract="0.1889811"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31952"
                           xFract="0.74875829"
                           y3="6.33328"
                           yFract="0.75038863"
                           z3="8.46425"
                           zFract="0.38092934"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a43" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.08416"
                           xFract="0.24693839"
                           y3="2.09593"
                           yFract="0.24833294"
                           z3="9.47001"
                           zFract="0.42619307"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34285"
                           xFract="0.75152251"
                           y3="2.11056"
                           yFract="0.25006635"
                           z3="6.34259"
                           zFract="0.28544509"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34406"
                           xFract="0.75166588"
                           y3="0.00474"
                           yFract="0.00056161"
                           z3="8.4177"
                           zFract="0.37883438"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21406"
                           xFract="0.49929621"
                           y3="-0.01563"
                           yFract="-0.0018519"
                           z3="6.34262"
                           zFract="0.28544644"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.00931"
                           xFract="0.00110308"
                           y3="0.00232"
                           yFract="0.00027488"
                           z3="6.34859"
                           zFract="0.28571512"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.3013"
                           xFract="0.5096327"
                           y3="2.08245"
                           yFract="0.24673578"
                           z3="8.38324"
                           zFract="0.37728353"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21205"
                           xFract="0.49905806"
                           y3="6.35765"
                           yFract="0.75327607"
                           z3="8.41069"
                           zFract="0.3785189"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22501"
                           xFract="0.5005936"
                           y3="4.24006"
                           yFract="0.50237678"
                           z3="6.31031"
                           zFract="0.28399235"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11289"
                           xFract="0.25034242"
                           y3="4.24048"
                           yFract="0.50242654"
                           z3="4.21943"
                           zFract="0.18989334"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23189"
                           xFract="0.50140877"
                           y3="2.10698"
                           yFract="0.24964218"
                           z3="4.21355"
                           zFract="0.18962871"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.35792"
                           xFract="0.75330806"
                           y3="4.21482"
                           yFract="0.49938626"
                           z3="8.40841"
                           zFract="0.37841629"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31666"
                           xFract="0.74841943"
                           y3="-0.00803"
                           yFract="-0.00095142"
                           z3="4.2079"
                           zFract="0.18937444"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10328"
                           xFract="0.24920379"
                           y3="-0.07762"
                           yFract="-0.00919668"
                           z3="8.46577"
                           zFract="0.38099775"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32747"
                           xFract="0.74970024"
                           y3="6.32759"
                           yFract="0.74971445"
                           z3="6.33237"
                           zFract="0.28498515"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11338"
                           xFract="0.25040047"
                           y3="6.33528"
                           yFract="0.75062559"
                           z3="6.32848"
                           zFract="0.28481008"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.08593"
                           xFract="-0.01018128"
                           y3="2.10292"
                           yFract="0.24916114"
                           z3="8.46963"
                           zFract="0.38117147"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00443"
                           xFract="-0.00052488"
                           y3="4.21985"
                           yFract="0.49998223"
                           z3="6.33691"
                           zFract="0.28518947"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="6.33025"
                           yFract="0.75002962"
                           z3="4.22637"
                           zFract="0.19020567"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32567"
                           xFract="0.74948697"
                           y3="4.22437"
                           yFract="0.50051777"
                           z3="4.21446"
                           zFract="0.18966967"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12074"
                           xFract="0.25127251"
                           y3="-0.01249"
                           yFract="-0.00147986"
                           z3="4.23227"
                           zFract="0.1904712"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.00741"
                           xFract="-0.00087796"
                           y3="2.11662"
                           yFract="0.25078436"
                           z3="4.23309"
                           zFract="0.1905081"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00521"
                           xFract="0.0006173"
                           y3="6.3433"
                           yFract="0.75157583"
                           z3="8.44346"
                           zFract="0.3799937"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.09141"
                           xFract="0.24779739"
                           y3="2.09983"
                           yFract="0.24879502"
                           z3="6.25223"
                           zFract="0.28137849"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00089"
                           xFract="0.00010545"
                           y3="6.32318"
                           yFract="0.74919194"
                           z3="4.23143"
                           zFract="0.19043339"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08856"
                           xFract="0.24745972"
                           y3="4.31405"
                           yFract="0.51114336"
                           z3="8.40992"
                           zFract="0.37848425"/>
                     <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="-0.00668"
                           xFract="-0.00079147"
                           y3="2.08048"
                           yFract="0.24650237"
                           z3="6.28744"
                           zFract="0.2829631"/>
                     <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="2.1143"
                           xFract="0.25050948"
                           y3="0.03231"
                           yFract="0.0038282"
                           z3="6.29718"
                           zFract="0.28340144"/>
                     <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="-0.02639"
                           xFract="-0.00312678"
                           y3="-0.0005"
                           yFract="-0.00005924"
                           z3="4.2377"
                           zFract="0.19071557"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.00781"
                           xFract="-0.00092536"
                           y3="0.00462"
                           yFract="0.00054739"
                           z3="8.44338"
                           zFract="0.3799901"/>
                     <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="2.13801"
                           xFract="0.25331872"
                           y3="2.13437"
                           yFract="0.25288744"
                           z3="4.18743"
                           zFract="0.1884532"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16837"
                           xFract="0.25691588"
                           y3="2.12399"
                           yFract="0.25165758"
                           z3="8.54296"
                           zFract="0.38447165"/>
                     <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="4.22006"
                           xFract="0.50000711"
                           y3="2.11821"
                           yFract="0.25097275"
                           z3="6.34134"
                           zFract="0.28538884"/>
                     <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="6.32529"
                           xFract="0.74944194"
                           y3="0.03509"
                           yFract="0.00415758"
                           z3="6.33687"
                           zFract="0.28518767"/>
                     <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="4.24311"
                           xFract="0.50273815"
                           y3="0.02724"
                           yFract="0.00322749"
                           z3="4.20705"
                           zFract="0.18933618"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22434"
                           xFract="0.50051422"
                           y3="0.01557"
                           yFract="0.00184479"
                           z3="8.45288"
                           zFract="0.38041764"/>
                     <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="6.3063"
                           xFract="0.74719194"
                           y3="2.07923"
                           yFract="0.24635427"
                           z3="4.24839"
                           zFract="0.19119667"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30075"
                           xFract="0.74653436"
                           y3="2.10111"
                           yFract="0.24894668"
                           z3="8.44244"
                           zFract="0.37994779"/>
                     <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="-0.00707"
                           xFract="-0.00083768"
                           y3="6.35743"
                           yFract="0.75325"
                           z3="6.31866"
                           zFract="0.28436814"/>
                     <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="2.14904"
                           xFract="0.25462559"
                           y3="4.18177"
                           yFract="0.49547038"
                           z3="6.32034"
                           zFract="0.28444374"/>
                     <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="0.0274"
                           xFract="0.00324645"
                           y3="4.22012"
                           yFract="0.50001422"
                           z3="4.19851"
                           zFract="0.18895185"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="4.2092"
                           yFract="0.49872038"
                           z3="8.47197"
                           zFract="0.38127678"/>
                     <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="2.09625"
                           xFract="0.24837085"
                           y3="6.31369"
                           yFract="0.74806754"
                           z3="4.21628"
                           zFract="0.18975158"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12109"
                           xFract="0.25131398"
                           y3="6.32345"
                           yFract="0.74922393"
                           z3="8.47181"
                           zFract="0.38126958"/>
                     <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="4.2270"
                           xFract="0.50082938"
                           y3="6.33156"
                           yFract="0.75018483"
                           z3="6.36492"
                           zFract="0.28645005"/>
                     <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="6.2957"
                           xFract="0.74593602"
                           y3="4.18869"
                           yFract="0.49629028"
                           z3="6.3524"
                           zFract="0.28588659"/>
                     <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="4.19183"
                           xFract="0.49666232"
                           y3="4.18657"
                           yFract="0.4960391"
                           z3="4.24271"
                           zFract="0.19094104"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22244"
                           xFract="0.5002891"
                           y3="4.19927"
                           yFract="0.49754384"
                           z3="8.46918"
                           zFract="0.38115122"/>
                     <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="6.34349"
                           xFract="0.75159834"
                           y3="6.35707"
                           yFract="0.75320735"
                           z3="4.18734"
                           zFract="0.18844914"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31479"
                           xFract="0.74819787"
                           y3="6.3356"
                           yFract="0.75066351"
                           z3="8.47778"
                           zFract="0.38153825"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a45" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.07205"
                           xFract="0.24550355"
                           y3="2.08996"
                           yFract="0.24762559"
                           z3="9.51836"
                           zFract="0.42836904"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34722"
                           xFract="0.75204028"
                           y3="2.11032"
                           yFract="0.25003791"
                           z3="6.34704"
                           zFract="0.28564536"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34922"
                           xFract="0.75227725"
                           y3="0.00566"
                           yFract="0.00067062"
                           z3="8.40917"
                           zFract="0.3784505"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21189"
                           xFract="0.4990391"
                           y3="-0.02094"
                           yFract="-0.00248104"
                           z3="6.34775"
                           zFract="0.28567732"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01286"
                           xFract="0.0015237"
                           y3="0.00339"
                           yFract="0.00040166"
                           z3="6.35581"
                           zFract="0.28604005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.33086"
                           xFract="0.51313507"
                           y3="2.07251"
                           yFract="0.24555806"
                           z3="8.36118"
                           zFract="0.37629073"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.20991"
                           xFract="0.4988045"
                           y3="6.36782"
                           yFract="0.75448104"
                           z3="8.4002"
                           zFract="0.3780468"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22662"
                           xFract="0.50078436"
                           y3="4.2472"
                           yFract="0.50322275"
                           z3="6.30397"
                           zFract="0.28370702"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11417"
                           xFract="0.25049408"
                           y3="4.24816"
                           yFract="0.50333649"
                           z3="4.21918"
                           zFract="0.18988209"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23654"
                           xFract="0.50195972"
                           y3="2.10591"
                           yFract="0.2495154"
                           z3="4.21156"
                           zFract="0.18953915"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36808"
                           xFract="0.75451185"
                           y3="4.21348"
                           yFract="0.49922749"
                           z3="8.39653"
                           zFract="0.37788164"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31177"
                           xFract="0.74784005"
                           y3="-0.01092"
                           yFract="-0.00129384"
                           z3="4.20344"
                           zFract="0.18917372"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10076"
                           xFract="0.24890521"
                           y3="-0.10637"
                           yFract="-0.01260308"
                           z3="8.47612"
                           zFract="0.38146355"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32664"
                           xFract="0.7496019"
                           y3="6.32699"
                           yFract="0.74964336"
                           z3="6.33386"
                           zFract="0.28505221"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11457"
                           xFract="0.25054147"
                           y3="6.33722"
                           yFract="0.75085545"
                           z3="6.32768"
                           zFract="0.28477408"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.1180"
                           xFract="-0.01398104"
                           y3="2.09995"
                           yFract="0.24880924"
                           z3="8.48127"
                           zFract="0.38169532"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00587"
                           xFract="-0.0006955"
                           y3="4.21981"
                           yFract="0.49997749"
                           z3="6.33963"
                           zFract="0.28531188"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21423"
                           xFract="0.49931635"
                           y3="6.33028"
                           yFract="0.75003318"
                           z3="4.22936"
                           zFract="0.19034023"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32385"
                           xFract="0.74927133"
                           y3="4.22593"
                           yFract="0.50070261"
                           z3="4.21256"
                           zFract="0.18958416"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12477"
                           xFract="0.25175"
                           y3="-0.0173"
                           yFract="-0.00204976"
                           z3="4.23663"
                           zFract="0.19066742"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01047"
                           xFract="-0.00124052"
                           y3="2.11897"
                           yFract="0.2510628"
                           z3="4.23768"
                           zFract="0.19071467"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00619"
                           xFract="0.00073341"
                           y3="6.34848"
                           yFract="0.75218957"
                           z3="8.44499"
                           zFract="0.38006256"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.08441"
                           xFract="0.24696801"
                           y3="2.09628"
                           yFract="0.24837441"
                           z3="6.22382"
                           zFract="0.28009991"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00116"
                           xFract="0.00013744"
                           y3="6.3208"
                           yFract="0.74890995"
                           z3="4.2360"
                           zFract="0.19063906"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08138"
                           xFract="0.246609"
                           y3="4.34817"
                           yFract="0.51518602"
                           z3="8.39816"
                           zFract="0.377955"/>
                     <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="-0.00919"
                           xFract="-0.00108886"
                           y3="2.06916"
                           yFract="0.24516114"
                           z3="6.27199"
                           zFract="0.28226778"/>
                     <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="2.11607"
                           xFract="0.25071919"
                           y3="0.04525"
                           yFract="0.00536137"
                           z3="6.28498"
                           zFract="0.28285239"/>
                     <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="-0.03635"
                           xFract="-0.00430687"
                           y3="-0.00071"
                           yFract="-0.00008412"
                           z3="4.24445"
                           zFract="0.19101935"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01089"
                           xFract="-0.00129028"
                           y3="0.00619"
                           yFract="0.00073341"
                           z3="8.44513"
                           zFract="0.38006886"/>
                     <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="2.14875"
                           xFract="0.25459123"
                           y3="2.14352"
                           yFract="0.25397156"
                           z3="4.17363"
                           zFract="0.18783213"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19291"
                           xFract="0.25982346"
                           y3="2.12962"
                           yFract="0.25232464"
                           z3="8.54779"
                           zFract="0.38468902"/>
                     <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="4.2203"
                           xFract="0.50003555"
                           y3="2.12066"
                           yFract="0.25126303"
                           z3="6.34541"
                           zFract="0.28557201"/>
                     <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="6.32321"
                           xFract="0.7491955"
                           y3="0.04919"
                           yFract="0.0058282"
                           z3="6.34005"
                           zFract="0.28533078"/>
                     <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="4.25185"
                           xFract="0.5037737"
                           y3="0.03717"
                           yFract="0.00440403"
                           z3="4.20193"
                           zFract="0.18910576"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22624"
                           xFract="0.50073934"
                           y3="0.02087"
                           yFract="0.00247275"
                           z3="8.45794"
                           zFract="0.38064536"/>
                     <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="6.29729"
                           xFract="0.74612441"
                           y3="2.06792"
                           yFract="0.24501422"
                           z3="4.25978"
                           zFract="0.19170927"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29002"
                           xFract="0.74526303"
                           y3="2.09759"
                           yFract="0.24852962"
                           z3="8.44367"
                           zFract="0.38000315"/>
                     <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="-0.01002"
                           xFract="-0.0011872"
                           y3="6.36802"
                           yFract="0.75450474"
                           z3="6.31508"
                           zFract="0.28420702"/>
                     <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="2.16384"
                           xFract="0.25637915"
                           y3="4.16656"
                           yFract="0.49366825"
                           z3="6.31669"
                           zFract="0.28427948"/>
                     <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="0.0375"
                           xFract="0.00444313"
                           y3="4.22014"
                           yFract="0.50001659"
                           z3="4.1903"
                           zFract="0.18858236"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01556"
                           xFract="0.0018436"
                           y3="4.20528"
                           yFract="0.49825592"
                           z3="8.48499"
                           zFract="0.38186274"/>
                     <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="2.09153"
                           xFract="0.24781161"
                           y3="6.30767"
                           yFract="0.74735427"
                           z3="4.21475"
                           zFract="0.18968272"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12514"
                           xFract="0.25179384"
                           y3="6.32194"
                           yFract="0.74904502"
                           z3="8.48496"
                           zFract="0.38186139"/>
                     <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="4.2299"
                           xFract="0.50117299"
                           y3="6.33245"
                           yFract="0.75029028"
                           z3="6.37809"
                           zFract="0.28704275"/>
                     <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="6.28272"
                           xFract="0.7443981"
                           y3="4.17606"
                           yFract="0.49479384"
                           z3="6.36063"
                           zFract="0.28625698"/>
                     <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="4.18153"
                           xFract="0.49544194"
                           y3="4.17439"
                           yFract="0.49459597"
                           z3="4.25137"
                           zFract="0.19133078"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22381"
                           xFract="0.50045142"
                           y3="4.19199"
                           yFract="0.49668128"
                           z3="8.48031"
                           zFract="0.38165212"/>
                     <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="6.34804"
                           xFract="0.75213744"
                           y3="6.36696"
                           yFract="0.75437915"
                           z3="4.17418"
                           zFract="0.18785689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.30952"
                           xFract="0.74757346"
                           y3="6.33817"
                           yFract="0.75096801"
                           z3="8.49285"
                           zFract="0.38221647"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0693"
                           xFract="0.24517773"
                           y3="2.08894"
                           yFract="0.24750474"
                           z3="9.52573"
                           zFract="0.42870072"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34614"
                           xFract="0.75191232"
                           y3="2.1089"
                           yFract="0.24986967"
                           z3="6.34598"
                           zFract="0.28559766"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34927"
                           xFract="0.75228318"
                           y3="0.00314"
                           yFract="0.00037204"
                           z3="8.40771"
                           zFract="0.37838479"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21173"
                           xFract="0.49902014"
                           y3="-0.01967"
                           yFract="-0.00233057"
                           z3="6.34884"
                           zFract="0.28572637"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01356"
                           xFract="0.00160664"
                           y3="0.00421"
                           yFract="0.00049882"
                           z3="6.35651"
                           zFract="0.28607156"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.32917"
                           xFract="0.51293483"
                           y3="2.07305"
                           yFract="0.24562204"
                           z3="8.35715"
                           zFract="0.37610936"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.21244"
                           xFract="0.49910427"
                           y3="6.36818"
                           yFract="0.7545237"
                           z3="8.40098"
                           zFract="0.37808191"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22585"
                           xFract="0.50069313"
                           y3="4.24672"
                           yFract="0.50316588"
                           z3="6.30603"
                           zFract="0.28379973"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11511"
                           xFract="0.25060545"
                           y3="4.24879"
                           yFract="0.50341114"
                           z3="4.21888"
                           zFract="0.18986859"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23738"
                           xFract="0.50205924"
                           y3="2.1060"
                           yFract="0.24952607"
                           z3="4.21244"
                           zFract="0.18957876"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36802"
                           xFract="0.75450474"
                           y3="4.21533"
                           yFract="0.49944668"
                           z3="8.3954"
                           zFract="0.37783078"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31158"
                           xFract="0.74781754"
                           y3="-0.01088"
                           yFract="-0.0012891"
                           z3="4.20305"
                           zFract="0.18915617"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10082"
                           xFract="0.24891232"
                           y3="-0.10842"
                           yFract="-0.01284597"
                           z3="8.47954"
                           zFract="0.38161746"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32687"
                           xFract="0.74962915"
                           y3="6.32777"
                           yFract="0.74973578"
                           z3="6.33527"
                           zFract="0.28511566"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11456"
                           xFract="0.25054028"
                           y3="6.33736"
                           yFract="0.75087204"
                           z3="6.32632"
                           zFract="0.28471287"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.12267"
                           xFract="-0.01453436"
                           y3="2.09913"
                           yFract="0.24871209"
                           z3="8.48482"
                           zFract="0.38185509"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00513"
                           xFract="-0.00060782"
                           y3="4.21961"
                           yFract="0.49995379"
                           z3="6.3403"
                           zFract="0.28534203"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21374"
                           xFract="0.49925829"
                           y3="6.33013"
                           yFract="0.7500154"
                           z3="4.23139"
                           zFract="0.19043159"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32287"
                           xFract="0.74915521"
                           y3="4.22589"
                           yFract="0.50069787"
                           z3="4.21275"
                           zFract="0.18959271"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1254"
                           xFract="0.25182464"
                           y3="-0.01834"
                           yFract="-0.00217299"
                           z3="4.23584"
                           zFract="0.19063186"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01171"
                           xFract="-0.00138744"
                           y3="2.11874"
                           yFract="0.25103555"
                           z3="4.2366"
                           zFract="0.19066607"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00312"
                           xFract="0.00036967"
                           y3="6.34941"
                           yFract="0.75229976"
                           z3="8.44567"
                           zFract="0.38009316"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.08377"
                           xFract="0.24689218"
                           y3="2.0971"
                           yFract="0.24847156"
                           z3="6.22033"
                           zFract="0.27994284"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00092"
                           xFract="0.000109"
                           y3="6.32115"
                           yFract="0.74895142"
                           z3="4.23712"
                           zFract="0.19068947"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08332"
                           xFract="0.24683886"
                           y3="4.34732"
                           yFract="0.51508531"
                           z3="8.39513"
                           zFract="0.37781863"/>
                     <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="-0.01021"
                           xFract="-0.00120972"
                           y3="2.06693"
                           yFract="0.24489692"
                           z3="6.27077"
                           zFract="0.28221287"/>
                     <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="2.11683"
                           xFract="0.25080924"
                           y3="0.04842"
                           yFract="0.00573697"
                           z3="6.28331"
                           zFract="0.28277723"/>
                     <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="-0.03773"
                           xFract="-0.00447038"
                           y3="-0.00086"
                           yFract="-0.0001019"
                           z3="4.24507"
                           zFract="0.19104725"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01136"
                           xFract="-0.00134597"
                           y3="0.00621"
                           yFract="0.00073578"
                           z3="8.44628"
                           zFract="0.38012061"/>
                     <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="2.15064"
                           xFract="0.25481517"
                           y3="2.14453"
                           yFract="0.25409123"
                           z3="4.16722"
                           zFract="0.18754365"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.19739"
                           xFract="0.26035427"
                           y3="2.12848"
                           yFract="0.25218957"
                           z3="8.55838"
                           zFract="0.38516562"/>
                     <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="4.22185"
                           xFract="0.50021919"
                           y3="2.11888"
                           yFract="0.25105213"
                           z3="6.34349"
                           zFract="0.2854856"/>
                     <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="6.32201"
                           xFract="0.74905332"
                           y3="0.05366"
                           yFract="0.00635782"
                           z3="6.34167"
                           zFract="0.28540369"/>
                     <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="4.2529"
                           xFract="0.5038981"
                           y3="0.03806"
                           yFract="0.00450948"
                           z3="4.20027"
                           zFract="0.18903105"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22744"
                           xFract="0.50088152"
                           y3="0.01915"
                           yFract="0.00226896"
                           z3="8.45847"
                           zFract="0.38066922"/>
                     <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="6.29611"
                           xFract="0.7459846"
                           y3="2.06747"
                           yFract="0.2449609"
                           z3="4.26297"
                           zFract="0.19185284"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29194"
                           xFract="0.74549052"
                           y3="2.09625"
                           yFract="0.24837085"
                           z3="8.44409"
                           zFract="0.38002205"/>
                     <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="-0.01139"
                           xFract="-0.00134953"
                           y3="6.37038"
                           yFract="0.75478436"
                           z3="6.31646"
                           zFract="0.28426913"/>
                     <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="2.16583"
                           xFract="0.25661493"
                           y3="4.16292"
                           yFract="0.49323697"
                           z3="6.31533"
                           zFract="0.28421827"/>
                     <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="0.03811"
                           xFract="0.0045154"
                           y3="4.22006"
                           yFract="0.50000711"
                           z3="4.18873"
                           zFract="0.1885117"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01535"
                           xFract="0.00181872"
                           y3="4.20489"
                           yFract="0.49820972"
                           z3="8.48884"
                           zFract="0.382036"/>
                     <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="2.09188"
                           xFract="0.24785308"
                           y3="6.30753"
                           yFract="0.74733768"
                           z3="4.21391"
                           zFract="0.18964491"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12532"
                           xFract="0.25181517"
                           y3="6.32616"
                           yFract="0.74954502"
                           z3="8.4901"
                           zFract="0.38209271"/>
                     <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="4.23131"
                           xFract="0.50134005"
                           y3="6.33344"
                           yFract="0.75040758"
                           z3="6.37924"
                           zFract="0.28709451"/>
                     <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="6.28129"
                           xFract="0.74422867"
                           y3="4.17197"
                           yFract="0.49430924"
                           z3="6.35995"
                           zFract="0.28622637"/>
                     <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="4.1815"
                           xFract="0.49543839"
                           y3="4.17346"
                           yFract="0.49448578"
                           z3="4.25216"
                           zFract="0.19136634"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22563"
                           xFract="0.50066706"
                           y3="4.19326"
                           yFract="0.49683175"
                           z3="8.48152"
                           zFract="0.38170657"/>
                     <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="6.3474"
                           xFract="0.75206161"
                           y3="6.36711"
                           yFract="0.75439692"
                           z3="4.16971"
                           zFract="0.18765572"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31041"
                           xFract="0.74767891"
                           y3="6.34036"
                           yFract="0.75122749"
                           z3="8.49679"
                           zFract="0.38239379"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a23 a80" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.06106"
                           xFract="0.24420142"
                           y3="2.08591"
                           yFract="0.24714573"
                           z3="9.54783"
                           zFract="0.42969532"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34292"
                           xFract="0.75153081"
                           y3="2.10462"
                           yFract="0.24936256"
                           z3="6.3428"
                           zFract="0.28545455"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34941"
                           xFract="0.75229976"
                           y3="-0.00441"
                           yFract="-0.00052251"
                           z3="8.4033"
                           zFract="0.37818632"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21124"
                           xFract="0.49896209"
                           y3="-0.01587"
                           yFract="-0.00188033"
                           z3="6.35212"
                           zFract="0.28587399"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01565"
                           xFract="0.00185427"
                           y3="0.00668"
                           yFract="0.00079147"
                           z3="6.35861"
                           zFract="0.28616607"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.32411"
                           xFract="0.51233531"
                           y3="2.07469"
                           yFract="0.24581635"
                           z3="8.34505"
                           zFract="0.37556481"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22004"
                           xFract="0.50000474"
                           y3="6.36926"
                           yFract="0.75465166"
                           z3="8.4033"
                           zFract="0.37818632"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22353"
                           xFract="0.50041825"
                           y3="4.24527"
                           yFract="0.50299408"
                           z3="6.31222"
                           zFract="0.28407831"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11793"
                           xFract="0.25093957"
                           y3="4.25067"
                           yFract="0.50363389"
                           z3="4.21799"
                           zFract="0.18982853"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23989"
                           xFract="0.50235664"
                           y3="2.10629"
                           yFract="0.24956043"
                           z3="4.21508"
                           zFract="0.18969757"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36786"
                           xFract="0.75448578"
                           y3="4.22088"
                           yFract="0.50010427"
                           z3="8.39201"
                           zFract="0.37767822"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31098"
                           xFract="0.74774645"
                           y3="-0.01077"
                           yFract="-0.00127607"
                           z3="4.20186"
                           zFract="0.18910261"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1010"
                           xFract="0.24893365"
                           y3="-0.11456"
                           yFract="-0.01357346"
                           z3="8.4898"
                           zFract="0.38207921"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32755"
                           xFract="0.74970972"
                           y3="6.33012"
                           yFract="0.75001422"
                           z3="6.33951"
                           zFract="0.28530648"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11451"
                           xFract="0.25053436"
                           y3="6.33778"
                           yFract="0.7509218"
                           z3="6.32223"
                           zFract="0.2845288"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13669"
                           xFract="-0.0161955"
                           y3="2.0967"
                           yFract="0.24842417"
                           z3="8.49548"
                           zFract="0.38233483"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00291"
                           xFract="-0.00034479"
                           y3="4.21901"
                           yFract="0.4998827"
                           z3="6.34231"
                           zFract="0.28543249"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21226"
                           xFract="0.49908294"
                           y3="6.32969"
                           yFract="0.74996327"
                           z3="4.23748"
                           zFract="0.19070567"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31993"
                           xFract="0.74880687"
                           y3="4.22577"
                           yFract="0.50068365"
                           z3="4.21333"
                           zFract="0.18961881"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1273"
                           xFract="0.25204976"
                           y3="-0.02148"
                           yFract="-0.00254502"
                           z3="4.23348"
                           zFract="0.19052565"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.01544"
                           xFract="-0.00182938"
                           y3="2.11805"
                           yFract="0.25095379"
                           z3="4.23335"
                           zFract="0.1905198"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00609"
                           xFract="-0.00072156"
                           y3="6.35221"
                           yFract="0.75263152"
                           z3="8.44768"
                           zFract="0.38018362"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.08184"
                           xFract="0.24666351"
                           y3="2.09953"
                           yFract="0.24875948"
                           z3="6.20985"
                           zFract="0.2794712"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.00021"
                           xFract="0.00002488"
                           y3="6.32218"
                           yFract="0.74907346"
                           z3="4.24046"
                           zFract="0.19083978"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08915"
                           xFract="0.24752962"
                           y3="4.34479"
                           yFract="0.51478555"
                           z3="8.38606"
                           zFract="0.37741044"/>
                     <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="-0.01327"
                           xFract="-0.00157227"
                           y3="2.06025"
                           yFract="0.24410545"
                           z3="6.26709"
                           zFract="0.28204725"/>
                     <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="2.1191"
                           xFract="0.2510782"
                           y3="0.05791"
                           yFract="0.00686137"
                           z3="6.27829"
                           zFract="0.28255131"/>
                     <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="-0.04188"
                           xFract="-0.00496209"
                           y3="-0.00131"
                           yFract="-0.00015521"
                           z3="4.24693"
                           zFract="0.19113096"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01278"
                           xFract="-0.00151422"
                           y3="0.00625"
                           yFract="0.00074052"
                           z3="8.44972"
                           zFract="0.38027543"/>
                     <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="2.15632"
                           xFract="0.25548815"
                           y3="2.14755"
                           yFract="0.25444905"
                           z3="4.14798"
                           zFract="0.18667777"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.21084"
                           xFract="0.26194787"
                           y3="2.12506"
                           yFract="0.25178436"
                           z3="8.59016"
                           zFract="0.38659586"/>
                     <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="4.2265"
                           xFract="0.50077014"
                           y3="2.11357"
                           yFract="0.25042299"
                           z3="6.33772"
                           zFract="0.28522592"/>
                     <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="6.3184"
                           xFract="0.74862559"
                           y3="0.0671"
                           yFract="0.00795024"
                           z3="6.34653"
                           zFract="0.28562241"/>
                     <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="4.25604"
                           xFract="0.50427014"
                           y3="0.04075"
                           yFract="0.0048282"
                           z3="4.19531"
                           zFract="0.18880783"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23104"
                           xFract="0.50130806"
                           y3="0.01399"
                           yFract="0.00165758"
                           z3="8.46007"
                           zFract="0.38074122"/>
                     <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="6.29255"
                           xFract="0.7455628"
                           y3="2.06612"
                           yFract="0.24480095"
                           z3="4.27254"
                           zFract="0.19228353"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29771"
                           xFract="0.74617417"
                           y3="2.09222"
                           yFract="0.24789336"
                           z3="8.44537"
                           zFract="0.38007966"/>
                     <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="-0.01551"
                           xFract="-0.00183768"
                           y3="6.37746"
                           yFract="0.75562322"
                           z3="6.32059"
                           zFract="0.284455"/>
                     <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="2.17182"
                           xFract="0.25732464"
                           y3="4.1520"
                           yFract="0.49194313"
                           z3="6.31123"
                           zFract="0.28403375"/>
                     <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="0.03992"
                           xFract="0.00472986"
                           y3="4.21982"
                           yFract="0.49997867"
                           z3="4.18404"
                           zFract="0.18830063"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01472"
                           xFract="0.00174408"
                           y3="4.20375"
                           yFract="0.49807464"
                           z3="8.50039"
                           zFract="0.38255581"/>
                     <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="2.09294"
                           xFract="0.24797867"
                           y3="6.30712"
                           yFract="0.7472891"
                           z3="4.21137"
                           zFract="0.1895306"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12587"
                           xFract="0.25188033"
                           y3="6.33881"
                           yFract="0.75104384"
                           z3="8.5055"
                           zFract="0.38278578"/>
                     <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="4.23552"
                           xFract="0.50183886"
                           y3="6.3364"
                           yFract="0.75075829"
                           z3="6.38271"
                           zFract="0.28725068"/>
                     <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="6.2770"
                           xFract="0.74372038"
                           y3="4.15968"
                           yFract="0.49285308"
                           z3="6.35791"
                           zFract="0.28613456"/>
                     <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="4.18139"
                           xFract="0.49542536"
                           y3="4.17067"
                           yFract="0.49415521"
                           z3="4.25454"
                           zFract="0.19147345"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2311"
                           xFract="0.50131517"
                           y3="4.19706"
                           yFract="0.49728199"
                           z3="8.48516"
                           zFract="0.38187039"/>
                     <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="6.3455"
                           xFract="0.75183649"
                           y3="6.36755"
                           yFract="0.75444905"
                           z3="4.15632"
                           zFract="0.18705311"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31308"
                           xFract="0.74799526"
                           y3="6.34693"
                           yFract="0.75200592"
                           z3="8.50861"
                           zFract="0.38292574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a75" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04457"
                           xFract="0.24224763"
                           y3="2.07985"
                           yFract="0.24642773"
                           z3="9.59204"
                           zFract="0.43168497"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33647"
                           xFract="0.75076659"
                           y3="2.09608"
                           yFract="0.24835071"
                           z3="6.33642"
                           zFract="0.28516742"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34969"
                           xFract="0.75233294"
                           y3="-0.01952"
                           yFract="-0.0023128"
                           z3="8.3945"
                           zFract="0.37779028"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21027"
                           xFract="0.49884716"
                           y3="-0.00825"
                           yFract="-0.00097749"
                           z3="6.35867"
                           zFract="0.28616877"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01983"
                           xFract="0.00234953"
                           y3="0.01161"
                           yFract="0.00137559"
                           z3="6.36282"
                           zFract="0.28635554"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.3140"
                           xFract="0.51113744"
                           y3="2.07796"
                           yFract="0.24620379"
                           z3="8.32086"
                           zFract="0.37447615"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.23524"
                           xFract="0.50180569"
                           y3="6.37142"
                           yFract="0.75490758"
                           z3="8.40795"
                           zFract="0.37839559"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2189"
                           xFract="0.49986967"
                           y3="4.24237"
                           yFract="0.50265047"
                           z3="6.32459"
                           zFract="0.28463501"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12355"
                           xFract="0.25160545"
                           y3="4.25444"
                           yFract="0.50408057"
                           z3="4.21621"
                           zFract="0.18974842"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24492"
                           xFract="0.50295261"
                           y3="2.10686"
                           yFract="0.24962796"
                           z3="4.22036"
                           zFract="0.18993519"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36754"
                           xFract="0.75444787"
                           y3="4.23198"
                           yFract="0.50141943"
                           z3="8.38524"
                           zFract="0.37737354"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30979"
                           xFract="0.74760545"
                           y3="-0.01054"
                           yFract="-0.00124882"
                           z3="4.1995"
                           zFract="0.1889964"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10136"
                           xFract="0.2489763"
                           y3="-0.12686"
                           yFract="-0.01503081"
                           z3="8.51032"
                           zFract="0.3830027"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32891"
                           xFract="0.74987085"
                           y3="6.33481"
                           yFract="0.75056991"
                           z3="6.34799"
                           zFract="0.28568812"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11442"
                           xFract="0.2505237"
                           y3="6.33864"
                           yFract="0.7510237"
                           z3="6.31406"
                           zFract="0.28416112"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.16472"
                           xFract="-0.01951659"
                           y3="2.09182"
                           yFract="0.24784597"
                           z3="8.5168"
                           zFract="0.38329433"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00152"
                           xFract="0.00018009"
                           y3="4.21781"
                           yFract="0.49974052"
                           z3="6.34632"
                           zFract="0.28561296"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2093"
                           xFract="0.49873223"
                           y3="6.32881"
                           yFract="0.749859"
                           z3="4.24967"
                           zFract="0.19125428"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31405"
                           xFract="0.74811019"
                           y3="4.22553"
                           yFract="0.50065521"
                           z3="4.2145"
                           zFract="0.18967147"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13109"
                           xFract="0.25249882"
                           y3="-0.02775"
                           yFract="-0.00328791"
                           z3="4.22875"
                           zFract="0.19031278"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0229"
                           xFract="-0.00271327"
                           y3="2.11668"
                           yFract="0.25079147"
                           z3="4.22685"
                           zFract="0.19022727"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0245"
                           xFract="-0.00290284"
                           y3="6.3578"
                           yFract="0.75329384"
                           z3="8.45172"
                           zFract="0.38036544"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07798"
                           xFract="0.24620616"
                           y3="2.1044"
                           yFract="0.24933649"
                           z3="6.1889"
                           zFract="0.27852835"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00122"
                           xFract="-0.00014455"
                           y3="6.32426"
                           yFract="0.74931991"
                           z3="4.24716"
                           zFract="0.19114131"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10082"
                           xFract="0.24891232"
                           y3="4.33972"
                           yFract="0.51418483"
                           z3="8.36792"
                           zFract="0.37659406"/>
                     <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="-0.0194"
                           xFract="-0.00229858"
                           y3="2.04688"
                           yFract="0.24252133"
                           z3="6.25973"
                           zFract="0.28171602"/>
                     <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="2.12364"
                           xFract="0.25161611"
                           y3="0.07691"
                           yFract="0.00911256"
                           z3="6.26826"
                           zFract="0.28209991"/>
                     <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="-0.05016"
                           xFract="-0.00594313"
                           y3="-0.00221"
                           yFract="-0.00026185"
                           z3="4.25064"
                           zFract="0.19129793"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01561"
                           xFract="-0.00184953"
                           y3="0.00634"
                           yFract="0.00075118"
                           z3="8.45661"
                           zFract="0.38058551"/>
                     <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="2.16767"
                           xFract="0.25683294"
                           y3="2.1536"
                           yFract="0.25516588"
                           z3="4.1095"
                           zFract="0.18494599"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.23774"
                           xFract="0.26513507"
                           y3="2.11821"
                           yFract="0.25097275"
                           z3="8.65373"
                           zFract="0.3894568"/>
                     <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="4.23579"
                           xFract="0.50187085"
                           y3="2.10293"
                           yFract="0.24916232"
                           z3="6.32617"
                           zFract="0.28470612"/>
                     <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="6.31119"
                           xFract="0.74777133"
                           y3="0.09398"
                           yFract="0.01113507"
                           z3="6.35625"
                           zFract="0.28605986"/>
                     <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="4.26232"
                           xFract="0.50501422"
                           y3="0.04612"
                           yFract="0.00546445"
                           z3="4.18537"
                           zFract="0.18836049"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23824"
                           xFract="0.50216114"
                           y3="0.00366"
                           yFract="0.00043365"
                           z3="8.46327"
                           zFract="0.38088524"/>
                     <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="6.28543"
                           xFract="0.74471919"
                           y3="2.06341"
                           yFract="0.24447986"
                           z3="4.29168"
                           zFract="0.19314491"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30924"
                           xFract="0.74754028"
                           y3="2.08415"
                           yFract="0.2469372"
                           z3="8.44791"
                           zFract="0.38019397"/>
                     <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="-0.02374"
                           xFract="-0.0028128"
                           y3="6.3916"
                           yFract="0.75729858"
                           z3="6.32885"
                           zFract="0.28482673"/>
                     <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="2.18379"
                           xFract="0.25874289"
                           y3="4.13017"
                           yFract="0.48935664"
                           z3="6.30303"
                           zFract="0.28366472"/>
                     <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="0.04356"
                           xFract="0.00516114"
                           y3="4.21934"
                           yFract="0.4999218"
                           z3="4.17464"
                           zFract="0.18787759"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01347"
                           xFract="0.00159597"
                           y3="4.20145"
                           yFract="0.49780213"
                           z3="8.52349"
                           zFract="0.38359541"/>
                     <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="2.09506"
                           xFract="0.24822986"
                           y3="6.30629"
                           yFract="0.74719076"
                           z3="4.2063"
                           zFract="0.18930243"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12696"
                           xFract="0.25200948"
                           y3="6.36413"
                           yFract="0.75404384"
                           z3="8.53632"
                           zFract="0.38417282"/>
                     <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="4.24395"
                           xFract="0.50283768"
                           y3="6.34231"
                           yFract="0.75145853"
                           z3="6.38963"
                           zFract="0.28756211"/>
                     <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="6.26843"
                           xFract="0.74270498"
                           y3="4.13511"
                           yFract="0.48994194"
                           z3="6.35384"
                           zFract="0.2859514"/>
                     <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="4.18118"
                           xFract="0.49540047"
                           y3="4.16508"
                           yFract="0.49349289"
                           z3="4.2593"
                           zFract="0.19168767"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24204"
                           xFract="0.50261137"
                           y3="4.20467"
                           yFract="0.49818365"
                           z3="8.49243"
                           zFract="0.38219757"/>
                     <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="6.34169"
                           xFract="0.75138507"
                           y3="6.36844"
                           yFract="0.7545545"
                           z3="4.12953"
                           zFract="0.18584743"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.31841"
                           xFract="0.74862678"
                           y3="6.36007"
                           yFract="0.7535628"
                           z3="8.53226"
                           zFract="0.3839901"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03418"
                           xFract="0.24101659"
                           y3="2.07802"
                           yFract="0.2462109"
                           z3="9.63371"
                           zFract="0.43356031"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33539"
                           xFract="0.75063863"
                           y3="2.09387"
                           yFract="0.24808886"
                           z3="6.33563"
                           zFract="0.28513186"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34679"
                           xFract="0.75198934"
                           y3="-0.02373"
                           yFract="-0.00281161"
                           z3="8.39756"
                           zFract="0.37792799"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2090"
                           xFract="0.49869668"
                           y3="-0.00566"
                           yFract="-0.00067062"
                           z3="6.35892"
                           zFract="0.28618002"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02245"
                           xFract="0.00265995"
                           y3="0.01499"
                           yFract="0.00177607"
                           z3="6.36309"
                           zFract="0.28636769"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.30464"
                           xFract="0.51002844"
                           y3="2.07963"
                           yFract="0.24640166"
                           z3="8.32465"
                           zFract="0.37464671"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2406"
                           xFract="0.50244076"
                           y3="6.36947"
                           yFract="0.75467654"
                           z3="8.41709"
                           zFract="0.37880693"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22018"
                           xFract="0.50002133"
                           y3="4.24062"
                           yFract="0.50244313"
                           z3="6.32942"
                           zFract="0.28485239"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12562"
                           xFract="0.25185071"
                           y3="4.25162"
                           yFract="0.50374645"
                           z3="4.2110"
                           zFract="0.18951395"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24356"
                           xFract="0.50279147"
                           y3="2.10748"
                           yFract="0.24970142"
                           z3="4.21944"
                           zFract="0.18989379"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36608"
                           xFract="0.75427488"
                           y3="4.23621"
                           yFract="0.50192062"
                           z3="8.38659"
                           zFract="0.37743429"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31057"
                           xFract="0.74769787"
                           y3="-0.01034"
                           yFract="-0.00122512"
                           z3="4.19989"
                           zFract="0.18901395"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10332"
                           xFract="0.24920853"
                           y3="-0.1160"
                           yFract="-0.01374408"
                           z3="8.51981"
                           zFract="0.38342979"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32955"
                           xFract="0.74994668"
                           y3="6.33747"
                           yFract="0.75088507"
                           z3="6.34935"
                           zFract="0.28574932"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11485"
                           xFract="0.25057464"
                           y3="6.34134"
                           yFract="0.7513436"
                           z3="6.31413"
                           zFract="0.28416427"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.16337"
                           xFract="-0.01935664"
                           y3="2.09077"
                           yFract="0.24772156"
                           z3="8.52648"
                           zFract="0.38372997"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00288"
                           xFract="0.00034123"
                           y3="4.2164"
                           yFract="0.49957346"
                           z3="6.34841"
                           zFract="0.28570702"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20933"
                           xFract="0.49873578"
                           y3="6.32844"
                           yFract="0.74981517"
                           z3="4.25816"
                           zFract="0.19163636"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31191"
                           xFract="0.74785664"
                           y3="4.2260"
                           yFract="0.5007109"
                           z3="4.21669"
                           zFract="0.18977003"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13246"
                           xFract="0.25266114"
                           y3="-0.02702"
                           yFract="-0.00320142"
                           z3="4.2233"
                           zFract="0.19006751"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02441"
                           xFract="-0.00289218"
                           y3="2.11603"
                           yFract="0.25071445"
                           z3="4.22174"
                           zFract="0.1899973"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.02931"
                           xFract="-0.00347275"
                           y3="6.3561"
                           yFract="0.75309242"
                           z3="8.45663"
                           zFract="0.38058641"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07416"
                           xFract="0.24575355"
                           y3="2.1045"
                           yFract="0.24934834"
                           z3="6.18161"
                           zFract="0.27820027"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00341"
                           xFract="-0.00040403"
                           y3="6.32491"
                           yFract="0.74939692"
                           z3="4.24976"
                           zFract="0.19125833"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10542"
                           xFract="0.24945735"
                           y3="4.3324"
                           yFract="0.51331754"
                           z3="8.36537"
                           zFract="0.3764793"/>
                     <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="-0.02058"
                           xFract="-0.00243839"
                           y3="2.04736"
                           yFract="0.2425782"
                           z3="6.26163"
                           zFract="0.28180153"/>
                     <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="2.12595"
                           xFract="0.25188981"
                           y3="0.08471"
                           yFract="0.01003673"
                           z3="6.26859"
                           zFract="0.28211476"/>
                     <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="-0.05055"
                           xFract="-0.00598934"
                           y3="-0.00353"
                           yFract="-0.00041825"
                           z3="4.24942"
                           zFract="0.19124302"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01503"
                           xFract="-0.00178081"
                           y3="0.00689"
                           yFract="0.00081635"
                           z3="8.46028"
                           zFract="0.38075068"/>
                     <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="2.16775"
                           xFract="0.25684242"
                           y3="2.15224"
                           yFract="0.25500474"
                           z3="4.10486"
                           zFract="0.18473717"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.24896"
                           xFract="0.26646445"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="8.66429"
                           zFract="0.38993204"/>
                     <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="4.23688"
                           xFract="0.5020"
                           y3="2.09877"
                           yFract="0.24866943"
                           z3="6.32076"
                           zFract="0.28446265"/>
                     <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="6.3087"
                           xFract="0.7474763"
                           y3="0.1016"
                           yFract="0.01203791"
                           z3="6.35742"
                           zFract="0.28611251"/>
                     <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="4.26177"
                           xFract="0.50494905"
                           y3="0.04385"
                           yFract="0.0051955"
                           z3="4.18222"
                           zFract="0.18821872"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24325"
                           xFract="0.50275474"
                           y3="-0.0011"
                           yFract="-0.00013033"
                           z3="8.46139"
                           zFract="0.38080063"/>
                     <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="6.28657"
                           xFract="0.74485427"
                           y3="2.06596"
                           yFract="0.24478199"
                           z3="4.29526"
                           zFract="0.19330603"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30436"
                           xFract="0.74696209"
                           y3="2.08031"
                           yFract="0.24648223"
                           z3="8.44598"
                           zFract="0.38010711"/>
                     <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="-0.02926"
                           xFract="-0.00346682"
                           y3="6.39432"
                           yFract="0.75762085"
                           z3="6.33462"
                           zFract="0.28508641"/>
                     <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="2.18456"
                           xFract="0.25883412"
                           y3="4.12294"
                           yFract="0.4885"
                           z3="6.30358"
                           zFract="0.28368947"/>
                     <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="0.04134"
                           xFract="0.0048981"
                           y3="4.22002"
                           yFract="0.50000237"
                           z3="4.17554"
                           zFract="0.18791809"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01458"
                           xFract="0.00172749"
                           y3="4.20231"
                           yFract="0.49790403"
                           z3="8.5305"
                           zFract="0.38391089"/>
                     <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="2.09815"
                           xFract="0.24859597"
                           y3="6.30789"
                           yFract="0.74738033"
                           z3="4.20414"
                           zFract="0.18920522"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12604"
                           xFract="0.25190047"
                           y3="6.36547"
                           yFract="0.75420261"
                           z3="8.54754"
                           zFract="0.38467777"/>
                     <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="4.24949"
                           xFract="0.50349408"
                           y3="6.34354"
                           yFract="0.75160427"
                           z3="6.38985"
                           zFract="0.28757201"/>
                     <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="6.26949"
                           xFract="0.74283057"
                           y3="4.12567"
                           yFract="0.48882346"
                           z3="6.34992"
                           zFract="0.28577498"/>
                     <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="4.18573"
                           xFract="0.49593957"
                           y3="4.16875"
                           yFract="0.49392773"
                           z3="4.26019"
                           zFract="0.19172772"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2469"
                           xFract="0.5031872"
                           y3="4.21206"
                           yFract="0.49905924"
                           z3="8.48799"
                           zFract="0.38199775"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.3372"
                           xFract="0.75085308"
                           y3="6.36486"
                           yFract="0.75413033"
                           z3="4.1190"
                           zFract="0.18537354"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32169"
                           xFract="0.7490154"
                           y3="6.36423"
                           yFract="0.75405569"
                           z3="8.54296"
                           zFract="0.38447165"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03174"
                           xFract="0.24072749"
                           y3="2.07759"
                           yFract="0.24615995"
                           z3="9.64349"
                           zFract="0.43400045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33513"
                           xFract="0.75060782"
                           y3="2.09336"
                           yFract="0.24802844"
                           z3="6.33544"
                           zFract="0.28512331"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34611"
                           xFract="0.75190877"
                           y3="-0.02472"
                           yFract="-0.00292891"
                           z3="8.39828"
                           zFract="0.3779604"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2087"
                           xFract="0.49866114"
                           y3="-0.00505"
                           yFract="-0.00059834"
                           z3="6.35897"
                           zFract="0.28618227"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02306"
                           xFract="0.00273223"
                           y3="0.01579"
                           yFract="0.00187085"
                           z3="6.36316"
                           zFract="0.28637084"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.30244"
                           xFract="0.50976777"
                           y3="2.08002"
                           yFract="0.24644787"
                           z3="8.32554"
                           zFract="0.37468677"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24186"
                           xFract="0.50259005"
                           y3="6.36902"
                           yFract="0.75462322"
                           z3="8.41924"
                           zFract="0.37890369"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22048"
                           xFract="0.50005687"
                           y3="4.2402"
                           yFract="0.50239336"
                           z3="6.33055"
                           zFract="0.28490324"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1261"
                           xFract="0.25190758"
                           y3="4.25096"
                           yFract="0.50366825"
                           z3="4.20978"
                           zFract="0.18945905"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24324"
                           xFract="0.50275355"
                           y3="2.10762"
                           yFract="0.24971801"
                           z3="4.21922"
                           zFract="0.18988389"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36573"
                           xFract="0.75423341"
                           y3="4.2372"
                           yFract="0.50203791"
                           z3="8.38691"
                           zFract="0.37744869"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31075"
                           xFract="0.74771919"
                           y3="-0.0103"
                           yFract="-0.00122038"
                           z3="4.19999"
                           zFract="0.18901845"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10378"
                           xFract="0.24926303"
                           y3="-0.11345"
                           yFract="-0.01344194"
                           z3="8.52204"
                           zFract="0.38353015"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32969"
                           xFract="0.74996327"
                           y3="6.33809"
                           yFract="0.75095853"
                           z3="6.34967"
                           zFract="0.28576373"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11495"
                           xFract="0.25058649"
                           y3="6.34197"
                           yFract="0.75141825"
                           z3="6.31415"
                           zFract="0.28416517"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.16306"
                           xFract="-0.01931991"
                           y3="2.09052"
                           yFract="0.24769194"
                           z3="8.52875"
                           zFract="0.38383213"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00319"
                           xFract="0.00037796"
                           y3="4.21607"
                           yFract="0.49953436"
                           z3="6.3489"
                           zFract="0.28572907"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20934"
                           xFract="0.49873697"
                           y3="6.32835"
                           yFract="0.7498045"
                           z3="4.26015"
                           zFract="0.19172592"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31141"
                           xFract="0.74779739"
                           y3="4.22611"
                           yFract="0.50072393"
                           z3="4.2172"
                           zFract="0.18979298"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13278"
                           xFract="0.25269905"
                           y3="-0.02684"
                           yFract="-0.00318009"
                           z3="4.22202"
                           zFract="0.1900099"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02477"
                           xFract="-0.00293483"
                           y3="2.11588"
                           yFract="0.25069668"
                           z3="4.22054"
                           zFract="0.18994329"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03044"
                           xFract="-0.00360664"
                           y3="6.3557"
                           yFract="0.75304502"
                           z3="8.45778"
                           zFract="0.38063816"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07326"
                           xFract="0.24564692"
                           y3="2.10453"
                           yFract="0.2493519"
                           z3="6.17989"
                           zFract="0.27812286"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00393"
                           xFract="-0.00046564"
                           y3="6.32506"
                           yFract="0.74941469"
                           z3="4.25037"
                           zFract="0.19128578"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1065"
                           xFract="0.24958531"
                           y3="4.33068"
                           yFract="0.51311374"
                           z3="8.36478"
                           zFract="0.37645275"/>
                     <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="-0.02086"
                           xFract="-0.00247156"
                           y3="2.04748"
                           yFract="0.24259242"
                           z3="6.26207"
                           zFract="0.28182133"/>
                     <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="2.12649"
                           xFract="0.25195379"
                           y3="0.08655"
                           yFract="0.01025474"
                           z3="6.26867"
                           zFract="0.28211836"/>
                     <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="-0.05064"
                           xFract="-0.0060"
                           y3="-0.00384"
                           yFract="-0.00045498"
                           z3="4.24913"
                           zFract="0.19122997"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01489"
                           xFract="-0.00176422"
                           y3="0.00702"
                           yFract="0.00083175"
                           z3="8.46114"
                           zFract="0.38078938"/>
                     <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="2.16777"
                           xFract="0.25684479"
                           y3="2.15192"
                           yFract="0.25496682"
                           z3="4.10377"
                           zFract="0.18468812"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2516"
                           xFract="0.26677725"
                           y3="2.10737"
                           yFract="0.24968839"
                           z3="8.66677"
                           zFract="0.39004365"/>
                     <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="4.23713"
                           xFract="0.50202962"
                           y3="2.0978"
                           yFract="0.2485545"
                           z3="6.31949"
                           zFract="0.28440549"/>
                     <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="6.30812"
                           xFract="0.74740758"
                           y3="0.1034"
                           yFract="0.01225118"
                           z3="6.3577"
                           zFract="0.28612511"/>
                     <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="4.26164"
                           xFract="0.50493365"
                           y3="0.04332"
                           yFract="0.0051327"
                           z3="4.18147"
                           zFract="0.18818497"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24443"
                           xFract="0.50289455"
                           y3="-0.00221"
                           yFract="-0.00026185"
                           z3="8.46095"
                           zFract="0.38078083"/>
                     <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="6.28683"
                           xFract="0.74488507"
                           y3="2.06656"
                           yFract="0.24485308"
                           z3="4.2961"
                           zFract="0.19334383"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30321"
                           xFract="0.74682583"
                           y3="2.07941"
                           yFract="0.24637559"
                           z3="8.44553"
                           zFract="0.38008686"/>
                     <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="-0.03056"
                           xFract="-0.00362085"
                           y3="6.39496"
                           yFract="0.75769668"
                           z3="6.33598"
                           zFract="0.28514761"/>
                     <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="2.18474"
                           xFract="0.25885545"
                           y3="4.12124"
                           yFract="0.48829858"
                           z3="6.30371"
                           zFract="0.28369532"/>
                     <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="0.04082"
                           xFract="0.00483649"
                           y3="4.22018"
                           yFract="0.50002133"
                           z3="4.17575"
                           zFract="0.18792754"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01484"
                           xFract="0.00175829"
                           y3="4.20251"
                           yFract="0.49792773"
                           z3="8.53214"
                           zFract="0.3839847"/>
                     <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="2.09887"
                           xFract="0.24868128"
                           y3="6.30826"
                           yFract="0.74742417"
                           z3="4.20364"
                           zFract="0.18918272"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12582"
                           xFract="0.25187441"
                           y3="6.36578"
                           yFract="0.75423934"
                           z3="8.55017"
                           zFract="0.38479613"/>
                     <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="4.2508"
                           xFract="0.50364929"
                           y3="6.34383"
                           yFract="0.75163863"
                           z3="6.3899"
                           zFract="0.28757426"/>
                     <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="6.26974"
                           xFract="0.74286019"
                           y3="4.12345"
                           yFract="0.48856043"
                           z3="6.3490"
                           zFract="0.28573357"/>
                     <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="4.1868"
                           xFract="0.49606635"
                           y3="4.16961"
                           yFract="0.49402962"
                           z3="4.2604"
                           zFract="0.19173717"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24804"
                           xFract="0.50332227"
                           y3="4.21379"
                           yFract="0.49926422"
                           z3="8.48694"
                           zFract="0.3819505"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.33615"
                           xFract="0.75072867"
                           y3="6.36401"
                           yFract="0.75402962"
                           z3="4.11653"
                           zFract="0.18526238"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32246"
                           xFract="0.74910664"
                           y3="6.3652"
                           yFract="0.75417062"
                           z3="8.54548"
                           zFract="0.38458506"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02852"
                           xFract="0.24034597"
                           y3="2.0773"
                           yFract="0.24612559"
                           z3="9.65642"
                           zFract="0.43458236"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33487"
                           xFract="0.75057701"
                           y3="2.0926"
                           yFract="0.24793839"
                           z3="6.33578"
                           zFract="0.28513861"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34405"
                           xFract="0.75166469"
                           y3="-0.02613"
                           yFract="-0.00309597"
                           z3="8.40155"
                           zFract="0.37810756"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20785"
                           xFract="0.49856043"
                           y3="-0.00393"
                           yFract="-0.00046564"
                           z3="6.35863"
                           zFract="0.28616697"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02473"
                           xFract="0.00293009"
                           y3="0.0179"
                           yFract="0.00212085"
                           z3="6.36336"
                           zFract="0.28637984"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.29717"
                           xFract="0.50914336"
                           y3="2.08069"
                           yFract="0.24652725"
                           z3="8.33044"
                           zFract="0.37490729"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24409"
                           xFract="0.50285427"
                           y3="6.36743"
                           yFract="0.75443483"
                           z3="8.42565"
                           zFract="0.37919217"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22203"
                           xFract="0.50024052"
                           y3="4.23922"
                           yFract="0.50227725"
                           z3="6.3328"
                           zFract="0.2850045"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1271"
                           xFract="0.25202607"
                           y3="4.2488"
                           yFract="0.50341232"
                           z3="4.20607"
                           zFract="0.18929208"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24199"
                           xFract="0.50260545"
                           y3="2.1080"
                           yFract="0.24976303"
                           z3="4.21786"
                           zFract="0.18982268"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36504"
                           xFract="0.75415166"
                           y3="4.23902"
                           yFract="0.50225355"
                           z3="8.38832"
                           zFract="0.37751215"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31132"
                           xFract="0.74778673"
                           y3="-0.01022"
                           yFract="-0.0012109"
                           z3="4.20048"
                           zFract="0.1890405"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10534"
                           xFract="0.24944787"
                           y3="-0.10471"
                           yFract="-0.0124064"
                           z3="8.52769"
                           zFract="0.38378443"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33003"
                           xFract="0.75000355"
                           y3="6.33975"
                           yFract="0.75115521"
                           z3="6.34994"
                           zFract="0.28577588"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11535"
                           xFract="0.25063389"
                           y3="6.34413"
                           yFract="0.75167417"
                           z3="6.31532"
                           zFract="0.28421782"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.15981"
                           xFract="-0.01893483"
                           y3="2.09013"
                           yFract="0.24764573"
                           z3="8.53452"
                           zFract="0.38409181"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0038"
                           xFract="0.00045024"
                           y3="4.21514"
                           yFract="0.49942417"
                           z3="6.35027"
                           zFract="0.28579073"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20958"
                           xFract="0.4987654"
                           y3="6.32817"
                           yFract="0.74978318"
                           z3="4.26574"
                           zFract="0.1919775"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31048"
                           xFract="0.7476872"
                           y3="4.22651"
                           yFract="0.50077133"
                           z3="4.21873"
                           zFract="0.18986184"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13345"
                           xFract="0.25277844"
                           y3="-0.02586"
                           yFract="-0.00306398"
                           z3="4.21849"
                           zFract="0.18985104"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02541"
                           xFract="-0.00301066"
                           y3="2.11565"
                           yFract="0.25066943"
                           z3="4.21751"
                           zFract="0.18980693"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03167"
                           xFract="-0.00375237"
                           y3="6.35392"
                           yFract="0.75283412"
                           z3="8.46157"
                           zFract="0.38080873"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07053"
                           xFract="0.24532346"
                           y3="2.10412"
                           yFract="0.24930332"
                           z3="6.17606"
                           zFract="0.2779505"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00541"
                           xFract="-0.000641"
                           y3="6.32516"
                           yFract="0.74942654"
                           z3="4.25198"
                           zFract="0.19135824"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10861"
                           xFract="0.24983531"
                           y3="4.32624"
                           yFract="0.51258768"
                           z3="8.36462"
                           zFract="0.37644554"/>
                     <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="-0.02135"
                           xFract="-0.00252962"
                           y3="2.04922"
                           yFract="0.24279858"
                           z3="6.2640"
                           zFract="0.28190819"/>
                     <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="2.12775"
                           xFract="0.25210308"
                           y3="0.09065"
                           yFract="0.01074052"
                           z3="6.26972"
                           zFract="0.28216562"/>
                     <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="-0.05018"
                           xFract="-0.0059455"
                           y3="-0.00481"
                           yFract="-0.00056991"
                           z3="4.24798"
                           zFract="0.19117822"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01426"
                           xFract="-0.00168957"
                           y3="0.00763"
                           yFract="0.00090403"
                           z3="8.46345"
                           zFract="0.38089334"/>
                     <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="2.16674"
                           xFract="0.25672275"
                           y3="2.15044"
                           yFract="0.25479147"
                           z3="4.10387"
                           zFract="0.18469262"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25411"
                           xFract="0.26707464"
                           y3="2.10036"
                           yFract="0.24885782"
                           z3="8.68697"
                           zFract="0.39095275"/>
                     <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="4.23697"
                           xFract="0.50201066"
                           y3="2.09588"
                           yFract="0.24832701"
                           z3="6.31709"
                           zFract="0.28429748"/>
                     <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="6.30702"
                           xFract="0.74727725"
                           y3="0.10662"
                           yFract="0.0126327"
                           z3="6.35761"
                           zFract="0.28612106"/>
                     <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="4.26073"
                           xFract="0.50482583"
                           y3="0.04096"
                           yFract="0.00485308"
                           z3="4.1799"
                           zFract="0.18811431"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24768"
                           xFract="0.50327962"
                           y3="-0.00473"
                           yFract="-0.00056043"
                           z3="8.4593"
                           zFract="0.38070657"/>
                     <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="6.28831"
                           xFract="0.74506043"
                           y3="2.0685"
                           yFract="0.24508294"
                           z3="4.29689"
                           zFract="0.19337939"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29801"
                           xFract="0.74620972"
                           y3="2.07718"
                           yFract="0.24611137"
                           z3="8.44369"
                           zFract="0.38000405"/>
                     <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="-0.03436"
                           xFract="-0.00407109"
                           y3="6.39581"
                           yFract="0.75779739"
                           z3="6.33956"
                           zFract="0.28530873"/>
                     <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="2.18434"
                           xFract="0.25880806"
                           y3="4.11779"
                           yFract="0.48788981"
                           z3="6.30491"
                           zFract="0.28374932"/>
                     <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="0.03909"
                           xFract="0.00463152"
                           y3="4.22083"
                           yFract="0.50009834"
                           z3="4.17733"
                           zFract="0.18799865"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01594"
                           xFract="0.00188863"
                           y3="4.20312"
                           yFract="0.4980"
                           z3="8.53561"
                           zFract="0.38414086"/>
                     <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="2.1010"
                           xFract="0.24893365"
                           y3="6.30944"
                           yFract="0.74756398"
                           z3="4.20261"
                           zFract="0.18913636"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12504"
                           xFract="0.25178199"
                           y3="6.36488"
                           yFract="0.7541327"
                           z3="8.55601"
                           zFract="0.38505896"/>
                     <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="4.25465"
                           xFract="0.50410545"
                           y3="6.34415"
                           yFract="0.75167654"
                           z3="6.39005"
                           zFract="0.28758101"/>
                     <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="6.27154"
                           xFract="0.74307346"
                           y3="4.11846"
                           yFract="0.48796919"
                           z3="6.34694"
                           zFract="0.28564086"/>
                     <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="4.18992"
                           xFract="0.49643602"
                           y3="4.17294"
                           yFract="0.49442417"
                           z3="4.26074"
                           zFract="0.19175248"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25072"
                           xFract="0.50363981"
                           y3="4.21853"
                           yFract="0.49982583"
                           z3="8.48285"
                           zFract="0.38176643"/>
                     <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="6.33308"
                           xFract="0.75036493"
                           y3="6.36147"
                           yFract="0.75372867"
                           z3="4.11067"
                           zFract="0.18499865"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32427"
                           xFract="0.74932109"
                           y3="6.36704"
                           yFract="0.75438863"
                           z3="8.55215"
                           zFract="0.38488524"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a11" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01888"
                           xFract="0.23920379"
                           y3="2.07644"
                           yFract="0.2460237"
                           z3="9.69518"
                           zFract="0.43632673"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33408"
                           xFract="0.75048341"
                           y3="2.09031"
                           yFract="0.24766706"
                           z3="6.3368"
                           zFract="0.28518452"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33787"
                           xFract="0.75093246"
                           y3="-0.03037"
                           yFract="-0.00359834"
                           z3="8.41134"
                           zFract="0.37854815"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2053"
                           xFract="0.49825829"
                           y3="-0.00056"
                           yFract="-0.00006635"
                           z3="6.3576"
                           zFract="0.28612061"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02972"
                           xFract="0.00352133"
                           y3="0.02424"
                           yFract="0.00287204"
                           z3="6.36398"
                           zFract="0.28640774"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28137"
                           xFract="0.50727133"
                           y3="2.0827"
                           yFract="0.2467654"
                           z3="8.34514"
                           zFract="0.37556886"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25075"
                           xFract="0.50364336"
                           y3="6.36269"
                           yFract="0.75387322"
                           z3="8.44488"
                           zFract="0.38005761"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22666"
                           xFract="0.5007891"
                           y3="4.23628"
                           yFract="0.50192891"
                           z3="6.33954"
                           zFract="0.28530783"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13009"
                           xFract="0.25238033"
                           y3="4.2423"
                           yFract="0.50264218"
                           z3="4.19492"
                           zFract="0.18879028"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23824"
                           xFract="0.50216114"
                           y3="2.10916"
                           yFract="0.24990047"
                           z3="4.21376"
                           zFract="0.18963816"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36294"
                           xFract="0.75390284"
                           y3="4.24447"
                           yFract="0.50289929"
                           z3="8.39256"
                           zFract="0.37770297"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31302"
                           xFract="0.74798815"
                           y3="-0.0100"
                           yFract="-0.00118483"
                           z3="4.20197"
                           zFract="0.18910756"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11003"
                           xFract="0.25000355"
                           y3="-0.0785"
                           yFract="-0.00930095"
                           z3="8.54465"
                           zFract="0.3845477"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33103"
                           xFract="0.75012204"
                           y3="6.34472"
                           yFract="0.75174408"
                           z3="6.35075"
                           zFract="0.28581233"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11654"
                           xFract="0.25077488"
                           y3="6.3506"
                           yFract="0.75244076"
                           z3="6.31884"
                           zFract="0.28437624"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.15007"
                           xFract="-0.01778081"
                           y3="2.08897"
                           yFract="0.24750829"
                           z3="8.55181"
                           zFract="0.38486994"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00562"
                           xFract="0.00066588"
                           y3="4.21236"
                           yFract="0.49909479"
                           z3="6.35437"
                           zFract="0.28597525"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2103"
                           xFract="0.49885071"
                           y3="6.32764"
                           yFract="0.74972038"
                           z3="4.28249"
                           zFract="0.19273132"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.30768"
                           xFract="0.74735545"
                           y3="4.22771"
                           yFract="0.50091351"
                           z3="4.22332"
                           zFract="0.19006841"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13547"
                           xFract="0.25301777"
                           y3="-0.02291"
                           yFract="-0.00271445"
                           z3="4.2079"
                           zFract="0.18937444"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02733"
                           xFract="-0.00323815"
                           y3="2.11496"
                           yFract="0.25058768"
                           z3="4.20844"
                           zFract="0.18939874"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03536"
                           xFract="-0.00418957"
                           y3="6.34856"
                           yFract="0.75219905"
                           z3="8.47295"
                           zFract="0.38132088"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06232"
                           xFract="0.24435071"
                           y3="2.1029"
                           yFract="0.24915877"
                           z3="6.16455"
                           zFract="0.27743249"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00984"
                           xFract="-0.00116588"
                           y3="6.32546"
                           yFract="0.74946209"
                           z3="4.2568"
                           zFract="0.19157516"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11495"
                           xFract="0.25058649"
                           y3="4.31293"
                           yFract="0.51101066"
                           z3="8.36414"
                           zFract="0.37642394"/>
                     <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="-0.02284"
                           xFract="-0.00270616"
                           y3="2.05444"
                           yFract="0.24341706"
                           z3="6.26979"
                           zFract="0.28216877"/>
                     <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="2.13153"
                           xFract="0.25255095"
                           y3="0.10298"
                           yFract="0.01220142"
                           z3="6.27286"
                           zFract="0.28230693"/>
                     <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="-0.04883"
                           xFract="-0.00578555"
                           y3="-0.00771"
                           yFract="-0.00091351"
                           z3="4.24454"
                           zFract="0.1910234"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01238"
                           xFract="-0.00146682"
                           y3="0.00947"
                           yFract="0.00112204"
                           z3="8.47036"
                           zFract="0.38120432"/>
                     <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="2.16367"
                           xFract="0.256359"
                           y3="2.14598"
                           yFract="0.25426303"
                           z3="4.10417"
                           zFract="0.18470612"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26162"
                           xFract="0.26796445"
                           y3="2.07933"
                           yFract="0.24636611"
                           z3="8.74757"
                           zFract="0.39368002"/>
                     <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="4.23647"
                           xFract="0.50195142"
                           y3="2.09011"
                           yFract="0.24764336"
                           z3="6.30988"
                           zFract="0.283973"/>
                     <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="6.30371"
                           xFract="0.74688507"
                           y3="0.11628"
                           yFract="0.01377725"
                           z3="6.35735"
                           zFract="0.28610936"/>
                     <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="4.25802"
                           xFract="0.50450474"
                           y3="0.03389"
                           yFract="0.0040154"
                           z3="4.17517"
                           zFract="0.18790144"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25742"
                           xFract="0.50443365"
                           y3="-0.01228"
                           yFract="-0.00145498"
                           z3="8.45434"
                           zFract="0.38048335"/>
                     <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="6.29272"
                           xFract="0.74558294"
                           y3="2.0743"
                           yFract="0.24577014"
                           z3="4.29925"
                           zFract="0.1934856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28241"
                           xFract="0.74436137"
                           y3="2.0705"
                           yFract="0.24531991"
                           z3="8.43819"
                           zFract="0.37975653"/>
                     <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="-0.04575"
                           xFract="-0.00542062"
                           y3="6.39837"
                           yFract="0.75810071"
                           z3="6.35029"
                           zFract="0.28579163"/>
                     <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="2.18313"
                           xFract="0.25866469"
                           y3="4.10744"
                           yFract="0.48666351"
                           z3="6.30852"
                           zFract="0.28391179"/>
                     <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="0.03389"
                           xFract="0.0040154"
                           y3="4.22277"
                           yFract="0.5003282"
                           z3="4.18205"
                           zFract="0.18821107"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01923"
                           xFract="0.00227844"
                           y3="4.20496"
                           yFract="0.49821801"
                           z3="8.54601"
                           zFract="0.38460891"/>
                     <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="2.10737"
                           xFract="0.24968839"
                           y3="6.31297"
                           yFract="0.74798223"
                           z3="4.19953"
                           zFract="0.18899775"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12268"
                           xFract="0.25150237"
                           y3="6.36216"
                           yFract="0.75381043"
                           z3="8.57353"
                           zFract="0.38584743"/>
                     <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="4.2662"
                           xFract="0.50547393"
                           y3="6.34514"
                           yFract="0.75179384"
                           z3="6.3905"
                           zFract="0.28760126"/>
                     <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="6.27691"
                           xFract="0.74370972"
                           y3="4.1035"
                           yFract="0.48619668"
                           z3="6.34077"
                           zFract="0.28536319"/>
                     <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="4.19929"
                           xFract="0.49754621"
                           y3="4.18292"
                           yFract="0.49560664"
                           z3="4.26176"
                           zFract="0.19179838"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25875"
                           xFract="0.50459123"
                           y3="4.23274"
                           yFract="0.50150948"
                           z3="8.47057"
                           zFract="0.38121377"/>
                     <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="6.32389"
                           xFract="0.74927607"
                           y3="6.35383"
                           yFract="0.75282346"
                           z3="4.09308"
                           zFract="0.18420702"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32971"
                           xFract="0.74996564"
                           y3="6.37255"
                           yFract="0.75504147"
                           z3="8.57218"
                           zFract="0.38578668"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01783"
                           xFract="0.23907938"
                           y3="2.07634"
                           yFract="0.24601185"
                           z3="9.6994"
                           zFract="0.43651665"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33399"
                           xFract="0.75047275"
                           y3="2.09006"
                           yFract="0.24763744"
                           z3="6.33691"
                           zFract="0.28518947"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3372"
                           xFract="0.75085308"
                           y3="-0.03083"
                           yFract="-0.00365284"
                           z3="8.41241"
                           zFract="0.37859631"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20503"
                           xFract="0.4982263"
                           y3="-0.0002"
                           yFract="-0.0000237"
                           z3="6.35748"
                           zFract="0.28611521"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03027"
                           xFract="0.00358649"
                           y3="0.02493"
                           yFract="0.00295379"
                           z3="6.36405"
                           zFract="0.28641089"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27965"
                           xFract="0.50706754"
                           y3="2.08292"
                           yFract="0.24679147"
                           z3="8.34674"
                           zFract="0.37564086"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25148"
                           xFract="0.50372986"
                           y3="6.36217"
                           yFract="0.75381161"
                           z3="8.44697"
                           zFract="0.38015167"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22717"
                           xFract="0.50084953"
                           y3="4.23596"
                           yFract="0.501891"
                           z3="6.34027"
                           zFract="0.28534068"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13041"
                           xFract="0.25241825"
                           y3="4.2416"
                           yFract="0.50255924"
                           z3="4.19371"
                           zFract="0.18873582"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23783"
                           xFract="0.50211256"
                           y3="2.10928"
                           yFract="0.24991469"
                           z3="4.21332"
                           zFract="0.18961836"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36271"
                           xFract="0.75387559"
                           y3="4.24507"
                           yFract="0.50297038"
                           z3="8.39302"
                           zFract="0.37772367"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31321"
                           xFract="0.74801066"
                           y3="-0.00997"
                           yFract="-0.00118128"
                           z3="4.20214"
                           zFract="0.18911521"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11054"
                           xFract="0.25006398"
                           y3="-0.07565"
                           yFract="-0.00896327"
                           z3="8.54649"
                           zFract="0.38463051"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33114"
                           xFract="0.75013507"
                           y3="6.34527"
                           yFract="0.75180924"
                           z3="6.35083"
                           zFract="0.28581593"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11667"
                           xFract="0.25079028"
                           y3="6.3513"
                           yFract="0.7525237"
                           z3="6.31923"
                           zFract="0.28439379"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14901"
                           xFract="-0.01765521"
                           y3="2.08885"
                           yFract="0.24749408"
                           z3="8.55369"
                           zFract="0.38495455"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00582"
                           xFract="0.00068957"
                           y3="4.21206"
                           yFract="0.49905924"
                           z3="6.35482"
                           zFract="0.2859955"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21037"
                           xFract="0.498859"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="4.28432"
                           zFract="0.19281368"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.30738"
                           xFract="0.74731991"
                           y3="4.22784"
                           yFract="0.50092891"
                           z3="4.22382"
                           zFract="0.19009091"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13569"
                           xFract="0.25304384"
                           y3="-0.02259"
                           yFract="-0.00267654"
                           z3="4.20675"
                           zFract="0.18932268"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02753"
                           xFract="-0.00326185"
                           y3="2.11489"
                           yFract="0.25057938"
                           z3="4.20745"
                           zFract="0.18935419"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03576"
                           xFract="-0.00423697"
                           y3="6.34797"
                           yFract="0.75212915"
                           z3="8.47418"
                           zFract="0.38137624"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06143"
                           xFract="0.24424526"
                           y3="2.10277"
                           yFract="0.24914336"
                           z3="6.1633"
                           zFract="0.27737624"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01032"
                           xFract="-0.00122275"
                           y3="6.3255"
                           yFract="0.74946682"
                           z3="4.25733"
                           zFract="0.19159901"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11564"
                           xFract="0.25066825"
                           y3="4.31148"
                           yFract="0.51083886"
                           z3="8.36409"
                           zFract="0.37642169"/>
                     <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="-0.0230"
                           xFract="-0.00272512"
                           y3="2.05501"
                           yFract="0.2434846"
                           z3="6.27042"
                           zFract="0.28219712"/>
                     <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="2.13195"
                           xFract="0.25260071"
                           y3="0.10432"
                           yFract="0.01236019"
                           z3="6.2732"
                           zFract="0.28232223"/>
                     <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="-0.04868"
                           xFract="-0.00576777"
                           y3="-0.00803"
                           yFract="-0.00095142"
                           z3="4.24417"
                           zFract="0.19100675"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01218"
                           xFract="-0.00144313"
                           y3="0.00967"
                           yFract="0.00114573"
                           z3="8.47111"
                           zFract="0.38123807"/>
                     <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="2.16333"
                           xFract="0.25631872"
                           y3="2.14549"
                           yFract="0.25420498"
                           z3="4.1042"
                           zFract="0.18470747"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26244"
                           xFract="0.26806161"
                           y3="2.07704"
                           yFract="0.24609479"
                           z3="8.75417"
                           zFract="0.39397705"/>
                     <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="4.23641"
                           xFract="0.50194431"
                           y3="2.08949"
                           yFract="0.24756991"
                           z3="6.30909"
                           zFract="0.28393744"/>
                     <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="6.30335"
                           xFract="0.74684242"
                           y3="0.11733"
                           yFract="0.01390166"
                           z3="6.35732"
                           zFract="0.28610801"/>
                     <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="4.25772"
                           xFract="0.50446919"
                           y3="0.03312"
                           yFract="0.00392417"
                           z3="4.17465"
                           zFract="0.18787804"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25849"
                           xFract="0.50456043"
                           y3="-0.0131"
                           yFract="-0.00155213"
                           z3="8.4538"
                           zFract="0.38045905"/>
                     <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="6.2932"
                           xFract="0.74563981"
                           y3="2.07493"
                           yFract="0.24584479"
                           z3="4.29951"
                           zFract="0.1934973"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28072"
                           xFract="0.74416114"
                           y3="2.06977"
                           yFract="0.24523341"
                           z3="8.4376"
                           zFract="0.37972997"/>
                     <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="-0.04699"
                           xFract="-0.00556754"
                           y3="6.39865"
                           yFract="0.75813389"
                           z3="6.35146"
                           zFract="0.28584428"/>
                     <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="2.1830"
                           xFract="0.25864929"
                           y3="4.10631"
                           yFract="0.48652962"
                           z3="6.30891"
                           zFract="0.28392934"/>
                     <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="0.03332"
                           xFract="0.00394787"
                           y3="4.22298"
                           yFract="0.50035308"
                           z3="4.18257"
                           zFract="0.18823447"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01959"
                           xFract="0.00232109"
                           y3="4.20516"
                           yFract="0.49824171"
                           z3="8.54714"
                           zFract="0.38465977"/>
                     <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="2.10806"
                           xFract="0.24977014"
                           y3="6.31335"
                           yFract="0.74802725"
                           z3="4.1992"
                           zFract="0.1889829"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12243"
                           xFract="0.25147275"
                           y3="6.36187"
                           yFract="0.75377607"
                           z3="8.57544"
                           zFract="0.38593339"/>
                     <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="4.26746"
                           xFract="0.50562322"
                           y3="6.34525"
                           yFract="0.75180687"
                           z3="6.39055"
                           zFract="0.28760351"/>
                     <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="6.27749"
                           xFract="0.74377844"
                           y3="4.10187"
                           yFract="0.48600355"
                           z3="6.3401"
                           zFract="0.28533303"/>
                     <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="4.20031"
                           xFract="0.49766706"
                           y3="4.18401"
                           yFract="0.49573578"
                           z3="4.26188"
                           zFract="0.19180378"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25962"
                           xFract="0.50469431"
                           y3="4.23429"
                           yFract="0.50169313"
                           z3="8.46923"
                           zFract="0.38115347"/>
                     <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="6.32289"
                           xFract="0.74915758"
                           y3="6.3530"
                           yFract="0.75272512"
                           z3="4.09116"
                           zFract="0.18412061"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="6.37314"
                           yFract="0.75511137"
                           z3="8.57436"
                           zFract="0.38588479"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01574"
                           xFract="0.23883175"
                           y3="2.07615"
                           yFract="0.24598934"
                           z3="9.70784"
                           zFract="0.43689649"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33382"
                           xFract="0.75045261"
                           y3="2.08957"
                           yFract="0.24757938"
                           z3="6.33714"
                           zFract="0.28519982"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33586"
                           xFract="0.75069431"
                           y3="-0.03175"
                           yFract="-0.00376185"
                           z3="8.41454"
                           zFract="0.37869217"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20447"
                           xFract="0.49815995"
                           y3="0.00053"
                           yFract="0.0000628"
                           z3="6.35726"
                           zFract="0.28610531"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03135"
                           xFract="0.00371445"
                           y3="0.02631"
                           yFract="0.0031173"
                           z3="6.36418"
                           zFract="0.28641674"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27621"
                           xFract="0.50665995"
                           y3="2.08336"
                           yFract="0.2468436"
                           z3="8.34993"
                           zFract="0.37578443"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25293"
                           xFract="0.50390166"
                           y3="6.36114"
                           yFract="0.75368957"
                           z3="8.45116"
                           zFract="0.38034023"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22817"
                           xFract="0.50096801"
                           y3="4.23533"
                           yFract="0.50181635"
                           z3="6.34174"
                           zFract="0.28540684"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13106"
                           xFract="0.25249526"
                           y3="4.24018"
                           yFract="0.502391"
                           z3="4.19128"
                           zFract="0.18862646"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23701"
                           xFract="0.5020154"
                           y3="2.10953"
                           yFract="0.24994431"
                           z3="4.21242"
                           zFract="0.18957786"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36226"
                           xFract="0.75382227"
                           y3="4.24625"
                           yFract="0.50311019"
                           z3="8.39394"
                           zFract="0.37776508"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31358"
                           xFract="0.7480545"
                           y3="-0.00992"
                           yFract="-0.00117536"
                           z3="4.20246"
                           zFract="0.18912961"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11156"
                           xFract="0.25018483"
                           y3="-0.06994"
                           yFract="-0.00828673"
                           z3="8.55018"
                           zFract="0.38479658"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33135"
                           xFract="0.75015995"
                           y3="6.34635"
                           yFract="0.7519372"
                           z3="6.35101"
                           zFract="0.28582403"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11694"
                           xFract="0.25082227"
                           y3="6.35271"
                           yFract="0.75269076"
                           z3="6.31999"
                           zFract="0.28442799"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14689"
                           xFract="-0.01740403"
                           y3="2.08859"
                           yFract="0.24746327"
                           z3="8.55745"
                           zFract="0.38512376"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00622"
                           xFract="0.00073697"
                           y3="4.21146"
                           yFract="0.49898815"
                           z3="6.35571"
                           zFract="0.28603555"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21053"
                           xFract="0.49887796"
                           y3="6.32746"
                           yFract="0.74969905"
                           z3="4.28796"
                           zFract="0.1929775"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.30677"
                           xFract="0.74724763"
                           y3="4.2281"
                           yFract="0.50095972"
                           z3="4.22482"
                           zFract="0.19013591"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13613"
                           xFract="0.25309597"
                           y3="-0.02194"
                           yFract="-0.00259953"
                           z3="4.20445"
                           zFract="0.18921917"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02795"
                           xFract="-0.00331161"
                           y3="2.11474"
                           yFract="0.25056161"
                           z3="4.20548"
                           zFract="0.18926553"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03656"
                           xFract="-0.00433175"
                           y3="6.34681"
                           yFract="0.75199171"
                           z3="8.47666"
                           zFract="0.38148785"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05964"
                           xFract="0.24403318"
                           y3="2.1025"
                           yFract="0.24911137"
                           z3="6.1608"
                           zFract="0.27726373"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01129"
                           xFract="-0.00133768"
                           y3="6.32556"
                           yFract="0.74947393"
                           z3="4.25838"
                           zFract="0.19164626"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11702"
                           xFract="0.25083175"
                           y3="4.30858"
                           yFract="0.51049526"
                           z3="8.36398"
                           zFract="0.37641674"/>
                     <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="-0.02333"
                           xFract="-0.00276422"
                           y3="2.05615"
                           yFract="0.24361967"
                           z3="6.27168"
                           zFract="0.28225383"/>
                     <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="2.13277"
                           xFract="0.25269787"
                           y3="0.1070"
                           yFract="0.01267773"
                           z3="6.27389"
                           zFract="0.28235329"/>
                     <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="-0.04838"
                           xFract="-0.00573223"
                           y3="-0.00866"
                           yFract="-0.00102607"
                           z3="4.24342"
                           zFract="0.190973"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01177"
                           xFract="-0.00139455"
                           y3="0.01007"
                           yFract="0.00119313"
                           z3="8.47262"
                           zFract="0.38130603"/>
                     <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="2.16266"
                           xFract="0.25623934"
                           y3="2.14452"
                           yFract="0.25409005"
                           z3="4.10427"
                           zFract="0.18471062"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26408"
                           xFract="0.26825592"
                           y3="2.07247"
                           yFract="0.24555332"
                           z3="8.76736"
                           zFract="0.39457066"/>
                     <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="4.2363"
                           xFract="0.50193128"
                           y3="2.08823"
                           yFract="0.24742062"
                           z3="6.30752"
                           zFract="0.28386679"/>
                     <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="6.30263"
                           xFract="0.74675711"
                           y3="0.11944"
                           yFract="0.01415166"
                           z3="6.35726"
                           zFract="0.28610531"/>
                     <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="4.25713"
                           xFract="0.50439929"
                           y3="0.03158"
                           yFract="0.00374171"
                           z3="4.17362"
                           zFract="0.18783168"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26061"
                           xFract="0.50481161"
                           y3="-0.01475"
                           yFract="-0.00174763"
                           z3="8.45273"
                           zFract="0.38041089"/>
                     <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="6.29416"
                           xFract="0.74575355"
                           y3="2.0762"
                           yFract="0.24599526"
                           z3="4.30002"
                           zFract="0.19352025"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27732"
                           xFract="0.74375829"
                           y3="2.06831"
                           yFract="0.24506043"
                           z3="8.4364"
                           zFract="0.37967597"/>
                     <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="-0.04947"
                           xFract="-0.00586137"
                           y3="6.39921"
                           yFract="0.75820024"
                           z3="6.3538"
                           zFract="0.28594959"/>
                     <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="2.18274"
                           xFract="0.25861848"
                           y3="4.10406"
                           yFract="0.48626303"
                           z3="6.30969"
                           zFract="0.28396445"/>
                     <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="0.03219"
                           xFract="0.00381398"
                           y3="4.2234"
                           yFract="0.50040284"
                           z3="4.18359"
                           zFract="0.18828038"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02031"
                           xFract="0.0024064"
                           y3="4.20556"
                           yFract="0.4982891"
                           z3="8.54941"
                           zFract="0.38476193"/>
                     <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="2.10945"
                           xFract="0.24993483"
                           y3="6.31412"
                           yFract="0.74811848"
                           z3="4.19853"
                           zFract="0.18895275"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12191"
                           xFract="0.25141114"
                           y3="6.36128"
                           yFract="0.75370616"
                           z3="8.57926"
                           zFract="0.38610531"/>
                     <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="4.26997"
                           xFract="0.50592062"
                           y3="6.34546"
                           yFract="0.75183175"
                           z3="6.39065"
                           zFract="0.28760801"/>
                     <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="6.27866"
                           xFract="0.74391706"
                           y3="4.09862"
                           yFract="0.48561848"
                           z3="6.33876"
                           zFract="0.28527273"/>
                     <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="4.20234"
                           xFract="0.49790758"
                           y3="4.18618"
                           yFract="0.49599289"
                           z3="4.2621"
                           zFract="0.19181368"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26137"
                           xFract="0.50490166"
                           y3="4.23738"
                           yFract="0.50205924"
                           z3="8.46656"
                           zFract="0.3810333"/>
                     <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="6.32089"
                           xFract="0.74892062"
                           y3="6.35134"
                           yFract="0.75252844"
                           z3="4.08733"
                           zFract="0.18394824"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33148"
                           xFract="0.75017536"
                           y3="6.37434"
                           yFract="0.75525355"
                           z3="8.57872"
                           zFract="0.38608101"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01484"
                           xFract="0.23872512"
                           y3="2.07716"
                           yFract="0.246109"
                           z3="9.71678"
                           zFract="0.43729883"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33349"
                           xFract="0.75041351"
                           y3="2.09044"
                           yFract="0.24768246"
                           z3="6.33921"
                           zFract="0.28529298"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33625"
                           xFract="0.75074052"
                           y3="-0.02939"
                           yFract="-0.00348223"
                           z3="8.41657"
                           zFract="0.37878353"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20484"
                           xFract="0.49820379"
                           y3="-0.00055"
                           yFract="-0.00006517"
                           z3="6.35707"
                           zFract="0.28609676"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03156"
                           xFract="0.00373934"
                           y3="0.02638"
                           yFract="0.00312559"
                           z3="6.36613"
                           zFract="0.2865045"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27756"
                           xFract="0.50681991"
                           y3="2.08209"
                           yFract="0.24669313"
                           z3="8.35262"
                           zFract="0.37590549"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25012"
                           xFract="0.50356872"
                           y3="6.36121"
                           yFract="0.75369787"
                           z3="8.45219"
                           zFract="0.38038659"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22951"
                           xFract="0.50112678"
                           y3="4.23545"
                           yFract="0.50183057"
                           z3="6.33984"
                           zFract="0.28532133"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13096"
                           xFract="0.25248341"
                           y3="4.24149"
                           yFract="0.50254621"
                           z3="4.19123"
                           zFract="0.18862421"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23804"
                           xFract="0.50213744"
                           y3="2.10953"
                           yFract="0.24994431"
                           z3="4.21112"
                           zFract="0.18951935"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36397"
                           xFract="0.75402488"
                           y3="4.24429"
                           yFract="0.50287796"
                           z3="8.3938"
                           zFract="0.37775878"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31298"
                           xFract="0.74798341"
                           y3="-0.01018"
                           yFract="-0.00120616"
                           z3="4.2027"
                           zFract="0.18914041"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11245"
                           xFract="0.25029028"
                           y3="-0.07021"
                           yFract="-0.00831872"
                           z3="8.55267"
                           zFract="0.38490864"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3312"
                           xFract="0.75014218"
                           y3="6.34713"
                           yFract="0.75202962"
                           z3="6.35099"
                           zFract="0.28582313"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11739"
                           xFract="0.25087559"
                           y3="6.35424"
                           yFract="0.75287204"
                           z3="6.3230"
                           zFract="0.28456346"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14621"
                           xFract="-0.01732346"
                           y3="2.08877"
                           yFract="0.2474846"
                           z3="8.55941"
                           zFract="0.38521197"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00617"
                           xFract="0.00073104"
                           y3="4.21174"
                           yFract="0.49902133"
                           z3="6.35672"
                           zFract="0.28608101"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21037"
                           xFract="0.498859"
                           y3="6.32773"
                           yFract="0.74973104"
                           z3="4.28988"
                           zFract="0.19306391"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.30789"
                           xFract="0.74738033"
                           y3="4.22828"
                           yFract="0.50098104"
                           z3="4.22499"
                           zFract="0.19014356"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13594"
                           xFract="0.25307346"
                           y3="-0.0223"
                           yFract="-0.00264218"
                           z3="4.20463"
                           zFract="0.18922727"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02886"
                           xFract="-0.00341943"
                           y3="2.11539"
                           yFract="0.25063863"
                           z3="4.20656"
                           zFract="0.18931413"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.03163"
                           xFract="-0.00374763"
                           y3="6.34636"
                           yFract="0.75193839"
                           z3="8.48007"
                           zFract="0.38164131"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05853"
                           xFract="0.24390166"
                           y3="2.10245"
                           yFract="0.24910545"
                           z3="6.16106"
                           zFract="0.27727543"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01125"
                           xFract="-0.00133294"
                           y3="6.3244"
                           yFract="0.74933649"
                           z3="4.25984"
                           zFract="0.19171197"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11533"
                           xFract="0.25063152"
                           y3="4.30993"
                           yFract="0.51065521"
                           z3="8.36623"
                           zFract="0.376518"/>
                     <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="-0.02385"
                           xFract="-0.00282583"
                           y3="2.05845"
                           yFract="0.24389218"
                           z3="6.27245"
                           zFract="0.28228848"/>
                     <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="2.13208"
                           xFract="0.25261611"
                           y3="0.10584"
                           yFract="0.01254028"
                           z3="6.27516"
                           zFract="0.28241044"/>
                     <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="-0.0474"
                           xFract="-0.00561611"
                           y3="-0.00908"
                           yFract="-0.00107583"
                           z3="4.24366"
                           zFract="0.1909838"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01221"
                           xFract="-0.00144668"
                           y3="0.01201"
                           yFract="0.00142299"
                           z3="8.47367"
                           zFract="0.38135329"/>
                     <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="2.16129"
                           xFract="0.25607701"
                           y3="2.14426"
                           yFract="0.25405924"
                           z3="4.10646"
                           zFract="0.18480918"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26355"
                           xFract="0.26819313"
                           y3="2.06856"
                           yFract="0.24509005"
                           z3="8.77897"
                           zFract="0.39509316"/>
                     <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="4.23439"
                           xFract="0.50170498"
                           y3="2.08984"
                           yFract="0.24761137"
                           z3="6.3113"
                           zFract="0.2840369"/>
                     <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="6.30381"
                           xFract="0.74689692"
                           y3="0.11755"
                           yFract="0.01392773"
                           z3="6.35632"
                           zFract="0.28606301"/>
                     <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="4.2569"
                           xFract="0.50437204"
                           y3="0.03095"
                           yFract="0.00366706"
                           z3="4.17345"
                           zFract="0.18782403"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26148"
                           xFract="0.50491469"
                           y3="-0.01389"
                           yFract="-0.00164573"
                           z3="8.45229"
                           zFract="0.38039109"/>
                     <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="6.29464"
                           xFract="0.74581043"
                           y3="2.07551"
                           yFract="0.24591351"
                           z3="4.29798"
                           zFract="0.19342844"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27523"
                           xFract="0.74351066"
                           y3="2.06792"
                           yFract="0.24501422"
                           z3="8.43523"
                           zFract="0.37962331"/>
                     <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="-0.05201"
                           xFract="-0.00616232"
                           y3="6.39863"
                           yFract="0.75813152"
                           z3="6.35392"
                           zFract="0.285955"/>
                     <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="2.18228"
                           xFract="0.25856398"
                           y3="4.10448"
                           yFract="0.4863128"
                           z3="6.31135"
                           zFract="0.28403915"/>
                     <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="0.03291"
                           xFract="0.00389929"
                           y3="4.22405"
                           yFract="0.50047986"
                           z3="4.18479"
                           zFract="0.18833438"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0212"
                           xFract="0.00251185"
                           y3="4.20354"
                           yFract="0.49804976"
                           z3="8.54992"
                           zFract="0.38478488"/>
                     <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="2.10959"
                           xFract="0.24995142"
                           y3="6.31375"
                           yFract="0.74807464"
                           z3="4.19987"
                           zFract="0.18901305"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12178"
                           xFract="0.25139573"
                           y3="6.36212"
                           yFract="0.75380569"
                           z3="8.57918"
                           zFract="0.38610171"/>
                     <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="4.27283"
                           xFract="0.50625948"
                           y3="6.34487"
                           yFract="0.75176185"
                           z3="6.39395"
                           zFract="0.28775653"/>
                     <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="6.28105"
                           xFract="0.74420024"
                           y3="4.09885"
                           yFract="0.48564573"
                           z3="6.34146"
                           zFract="0.28539424"/>
                     <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="4.20108"
                           xFract="0.49775829"
                           y3="4.18656"
                           yFract="0.49603791"
                           z3="4.26249"
                           zFract="0.19183123"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26077"
                           xFract="0.50483057"
                           y3="4.23669"
                           yFract="0.50197749"
                           z3="8.46469"
                           zFract="0.38094914"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.32045"
                           xFract="0.74886848"
                           y3="6.35197"
                           yFract="0.75260308"
                           z3="4.08605"
                           zFract="0.18389064"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3310"
                           xFract="0.75011848"
                           y3="6.37356"
                           yFract="0.75516114"
                           z3="8.58315"
                           zFract="0.38628038"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01214"
                           xFract="0.23840521"
                           y3="2.08018"
                           yFract="0.24646682"
                           z3="9.7436"
                           zFract="0.43850585"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33249"
                           xFract="0.75029502"
                           y3="2.09307"
                           yFract="0.24799408"
                           z3="6.34542"
                           zFract="0.28557246"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33743"
                           xFract="0.75088033"
                           y3="-0.02233"
                           yFract="-0.00264573"
                           z3="8.42266"
                           zFract="0.37905761"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20594"
                           xFract="0.49833412"
                           y3="-0.00379"
                           yFract="-0.00044905"
                           z3="6.3565"
                           zFract="0.28607111"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03219"
                           xFract="0.00381398"
                           y3="0.0266"
                           yFract="0.00315166"
                           z3="6.37196"
                           zFract="0.28676688"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28159"
                           xFract="0.50729739"
                           y3="2.0783"
                           yFract="0.24624408"
                           z3="8.3607"
                           zFract="0.37626913"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24171"
                           xFract="0.50257227"
                           y3="6.36142"
                           yFract="0.75372275"
                           z3="8.45528"
                           zFract="0.38052565"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23351"
                           xFract="0.50160071"
                           y3="4.23583"
                           yFract="0.50187559"
                           z3="6.33414"
                           zFract="0.28506481"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13066"
                           xFract="0.25244787"
                           y3="4.24541"
                           yFract="0.50301066"
                           z3="4.19109"
                           zFract="0.18861791"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24112"
                           xFract="0.50250237"
                           y3="2.10954"
                           yFract="0.2499455"
                           z3="4.20722"
                           zFract="0.18934383"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.36912"
                           xFract="0.75463507"
                           y3="4.2384"
                           yFract="0.50218009"
                           z3="8.3934"
                           zFract="0.37774077"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3112"
                           xFract="0.74777251"
                           y3="-0.01095"
                           yFract="-0.00129739"
                           z3="4.20341"
                           zFract="0.18917237"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11511"
                           xFract="0.25060545"
                           y3="-0.07103"
                           yFract="-0.00841588"
                           z3="8.56012"
                           zFract="0.38524392"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33074"
                           xFract="0.75008768"
                           y3="6.34947"
                           yFract="0.75230687"
                           z3="6.35094"
                           zFract="0.28582088"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11877"
                           xFract="0.2510391"
                           y3="6.35882"
                           yFract="0.75341469"
                           z3="6.33204"
                           zFract="0.2849703"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14419"
                           xFract="-0.01708412"
                           y3="2.08929"
                           yFract="0.24754621"
                           z3="8.5653"
                           zFract="0.38547705"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00601"
                           xFract="0.00071209"
                           y3="4.2126"
                           yFract="0.49912322"
                           z3="6.35976"
                           zFract="0.28621782"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20987"
                           xFract="0.49879976"
                           y3="6.32851"
                           yFract="0.74982346"
                           z3="4.29565"
                           zFract="0.19332358"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31127"
                           xFract="0.74778081"
                           y3="4.22884"
                           yFract="0.50104739"
                           z3="4.22548"
                           zFract="0.19016562"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13537"
                           xFract="0.25300592"
                           y3="-0.02337"
                           yFract="-0.00276896"
                           z3="4.20518"
                           zFract="0.18925203"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03158"
                           xFract="-0.00374171"
                           y3="2.11734"
                           yFract="0.25086967"
                           z3="4.20981"
                           zFract="0.1894604"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01686"
                           xFract="-0.00199763"
                           y3="6.3450"
                           yFract="0.75177725"
                           z3="8.4903"
                           zFract="0.38210171"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05519"
                           xFract="0.24350592"
                           y3="2.1023"
                           yFract="0.24908768"
                           z3="6.16187"
                           zFract="0.27731188"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01113"
                           xFract="-0.00131872"
                           y3="6.32094"
                           yFract="0.74892654"
                           z3="4.26425"
                           zFract="0.19191044"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11025"
                           xFract="0.25002962"
                           y3="4.31399"
                           yFract="0.51113626"
                           z3="8.37296"
                           zFract="0.37682088"/>
                     <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="-0.02541"
                           xFract="-0.00301066"
                           y3="2.06533"
                           yFract="0.24470735"
                           z3="6.27476"
                           zFract="0.28239244"/>
                     <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="2.1300"
                           xFract="0.25236967"
                           y3="0.10237"
                           yFract="0.01212915"
                           z3="6.27896"
                           zFract="0.28258146"/>
                     <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="-0.04444"
                           xFract="-0.0052654"
                           y3="-0.01036"
                           yFract="-0.00122749"
                           z3="4.24437"
                           zFract="0.19101575"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01352"
                           xFract="-0.0016019"
                           y3="0.01781"
                           yFract="0.00211019"
                           z3="8.47684"
                           zFract="0.38149595"/>
                     <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="2.15717"
                           xFract="0.25558886"
                           y3="2.14347"
                           yFract="0.25396564"
                           z3="4.11303"
                           zFract="0.18510486"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26199"
                           xFract="0.26800829"
                           y3="2.05686"
                           yFract="0.24370379"
                           z3="8.81382"
                           zFract="0.39666157"/>
                     <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="4.22864"
                           xFract="0.5010237"
                           y3="2.09465"
                           yFract="0.24818128"
                           z3="6.32263"
                           zFract="0.2845468"/>
                     <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="6.30735"
                           xFract="0.74731635"
                           y3="0.1119"
                           yFract="0.01325829"
                           z3="6.3535"
                           zFract="0.28593609"/>
                     <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="4.2562"
                           xFract="0.5042891"
                           y3="0.02907"
                           yFract="0.00344431"
                           z3="4.17292"
                           zFract="0.18780018"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26408"
                           xFract="0.50522275"
                           y3="-0.01134"
                           yFract="-0.0013436"
                           z3="8.45099"
                           zFract="0.38033258"/>
                     <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="6.29607"
                           xFract="0.74597986"
                           y3="2.07344"
                           yFract="0.24566825"
                           z3="4.29184"
                           zFract="0.19315212"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26895"
                           xFract="0.74276659"
                           y3="2.06675"
                           yFract="0.24487559"
                           z3="8.43173"
                           zFract="0.3794658"/>
                     <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="-0.05961"
                           xFract="-0.0070628"
                           y3="6.39689"
                           yFract="0.75792536"
                           z3="6.3543"
                           zFract="0.2859721"/>
                     <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="2.18089"
                           xFract="0.25839929"
                           y3="4.10574"
                           yFract="0.48646209"
                           z3="6.31634"
                           zFract="0.28426373"/>
                     <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="0.03506"
                           xFract="0.00415403"
                           y3="4.22601"
                           yFract="0.50071209"
                           z3="4.18837"
                           zFract="0.1884955"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02388"
                           xFract="0.00282938"
                           y3="4.19745"
                           yFract="0.4973282"
                           z3="8.55144"
                           zFract="0.38485329"/>
                     <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="2.11003"
                           xFract="0.25000355"
                           y3="6.31265"
                           yFract="0.74794431"
                           z3="4.20388"
                           zFract="0.18919352"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1214"
                           xFract="0.25135071"
                           y3="6.36465"
                           yFract="0.75410545"
                           z3="8.57894"
                           zFract="0.38609091"/>
                     <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="4.28142"
                           xFract="0.50727725"
                           y3="6.34308"
                           yFract="0.75154976"
                           z3="6.40385"
                           zFract="0.28820207"/>
                     <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="6.2882"
                           xFract="0.74504739"
                           y3="4.09954"
                           yFract="0.48572749"
                           z3="6.34958"
                           zFract="0.28575968"/>
                     <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="4.1973"
                           xFract="0.49731043"
                           y3="4.18772"
                           yFract="0.49617536"
                           z3="4.26367"
                           zFract="0.19188434"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25898"
                           xFract="0.50461848"
                           y3="4.23462"
                           yFract="0.50173223"
                           z3="8.45909"
                           zFract="0.38069712"/>
                     <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="6.31912"
                           xFract="0.7487109"
                           y3="6.35385"
                           yFract="0.75282583"
                           z3="4.08219"
                           zFract="0.18371692"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32953"
                           xFract="0.74994431"
                           y3="6.37123"
                           yFract="0.75488507"
                           z3="8.59645"
                           zFract="0.38687894"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a41" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00674"
                           xFract="0.2377654"
                           y3="2.08621"
                           yFract="0.24718128"
                           z3="9.79725"
                           zFract="0.44092034"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33051"
                           xFract="0.75006043"
                           y3="2.09832"
                           yFract="0.24861611"
                           z3="6.35785"
                           zFract="0.28613186"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3398"
                           xFract="0.75116114"
                           y3="-0.00822"
                           yFract="-0.00097393"
                           z3="8.43483"
                           zFract="0.37960531"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20814"
                           xFract="0.49859479"
                           y3="-0.01028"
                           yFract="-0.00121801"
                           z3="6.35537"
                           zFract="0.28602025"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03346"
                           xFract="0.00396445"
                           y3="0.02703"
                           yFract="0.00320261"
                           z3="6.38362"
                           zFract="0.28729163"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28966"
                           xFract="0.50825355"
                           y3="2.07072"
                           yFract="0.24534597"
                           z3="8.37684"
                           zFract="0.3769955"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22487"
                           xFract="0.50057701"
                           y3="6.36185"
                           yFract="0.7537737"
                           z3="8.46147"
                           zFract="0.38080423"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24151"
                           xFract="0.50254858"
                           y3="4.2366"
                           yFract="0.50196682"
                           z3="6.32274"
                           zFract="0.28455176"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13005"
                           xFract="0.25237559"
                           y3="4.25324"
                           yFract="0.50393839"
                           z3="4.19079"
                           zFract="0.18860441"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24728"
                           xFract="0.50323223"
                           y3="2.10954"
                           yFract="0.2499455"
                           z3="4.19941"
                           zFract="0.18899235"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37942"
                           xFract="0.75585545"
                           y3="4.22661"
                           yFract="0.50078318"
                           z3="8.39258"
                           zFract="0.37770387"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30763"
                           xFract="0.74734953"
                           y3="-0.0125"
                           yFract="-0.00148104"
                           z3="4.20484"
                           zFract="0.18923672"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12045"
                           xFract="0.25123815"
                           y3="-0.07266"
                           yFract="-0.008609"
                           z3="8.57504"
                           zFract="0.38591539"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32983"
                           xFract="0.74997986"
                           y3="6.35415"
                           yFract="0.75286137"
                           z3="6.35084"
                           zFract="0.28581638"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12152"
                           xFract="0.25136493"
                           y3="6.36799"
                           yFract="0.75450118"
                           z3="6.35011"
                           zFract="0.28578353"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14013"
                           xFract="-0.01660308"
                           y3="2.09032"
                           yFract="0.24766825"
                           z3="8.57708"
                           zFract="0.3860072"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00569"
                           xFract="0.00067417"
                           y3="4.21432"
                           yFract="0.49932701"
                           z3="6.36585"
                           zFract="0.2864919"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20889"
                           xFract="0.49868365"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="4.30717"
                           zFract="0.19384203"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31803"
                           xFract="0.74858175"
                           y3="4.22996"
                           yFract="0.50118009"
                           z3="4.22646"
                           zFract="0.19020972"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13424"
                           xFract="0.25287204"
                           y3="-0.0255"
                           yFract="-0.00302133"
                           z3="4.20628"
                           zFract="0.18930153"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03702"
                           xFract="-0.00438626"
                           y3="2.12124"
                           yFract="0.25133175"
                           z3="4.21631"
                           zFract="0.18975293"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0127"
                           xFract="0.00150474"
                           y3="6.3423"
                           yFract="0.75145735"
                           z3="8.51077"
                           zFract="0.38302295"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.04853"
                           xFract="0.24271682"
                           y3="2.1020"
                           yFract="0.24905213"
                           z3="6.16348"
                           zFract="0.27738434"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0109"
                           xFract="-0.00129147"
                           y3="6.3140"
                           yFract="0.74810427"
                           z3="4.27305"
                           zFract="0.19230648"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10009"
                           xFract="0.24882583"
                           y3="4.32209"
                           yFract="0.51209597"
                           z3="8.38643"
                           zFract="0.37742709"/>
                     <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="-0.02854"
                           xFract="-0.00338152"
                           y3="2.07911"
                           yFract="0.24634005"
                           z3="6.27938"
                           zFract="0.28260036"/>
                     <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="2.12584"
                           xFract="0.25187678"
                           y3="0.09543"
                           yFract="0.01130687"
                           z3="6.28658"
                           zFract="0.28292439"/>
                     <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="-0.03852"
                           xFract="-0.00456398"
                           y3="-0.01292"
                           yFract="-0.00153081"
                           z3="4.24579"
                           zFract="0.19107966"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01614"
                           xFract="-0.00191232"
                           y3="0.02941"
                           yFract="0.0034846"
                           z3="8.48318"
                           zFract="0.38178128"/>
                     <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="2.14892"
                           xFract="0.25461137"
                           y3="2.1419"
                           yFract="0.25377962"
                           z3="4.12617"
                           zFract="0.18569622"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25887"
                           xFract="0.26763863"
                           y3="2.03345"
                           yFract="0.24093009"
                           z3="8.8835"
                           zFract="0.39979748"/>
                     <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="4.21714"
                           xFract="0.49966114"
                           y3="2.10428"
                           yFract="0.24932227"
                           z3="6.34529"
                           zFract="0.28556661"/>
                     <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="6.31443"
                           xFract="0.74815521"
                           y3="0.1006"
                           yFract="0.01191943"
                           z3="6.34785"
                           zFract="0.28568182"/>
                     <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="4.25481"
                           xFract="0.50412441"
                           y3="0.0253"
                           yFract="0.00299763"
                           z3="4.17187"
                           zFract="0.18775293"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26929"
                           xFract="0.50584005"
                           y3="-0.00622"
                           yFract="-0.00073697"
                           z3="8.44838"
                           zFract="0.38021512"/>
                     <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="6.29894"
                           xFract="0.74631991"
                           y3="2.0693"
                           yFract="0.24517773"
                           z3="4.27958"
                           zFract="0.19260036"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.25638"
                           xFract="0.74127725"
                           y3="2.06441"
                           yFract="0.24459834"
                           z3="8.42474"
                           zFract="0.37915122"/>
                     <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="-0.07481"
                           xFract="-0.00886374"
                           y3="6.39342"
                           yFract="0.75751422"
                           z3="6.35504"
                           zFract="0.2860054"/>
                     <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="2.17812"
                           xFract="0.25807109"
                           y3="4.10826"
                           yFract="0.48676066"
                           z3="6.32632"
                           zFract="0.28471287"/>
                     <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="0.03938"
                           xFract="0.00466588"
                           y3="4.22992"
                           yFract="0.50117536"
                           z3="4.19554"
                           zFract="0.18881818"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02924"
                           xFract="0.00346445"
                           y3="4.18529"
                           yFract="0.49588744"
                           z3="8.55449"
                           zFract="0.38499055"/>
                     <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="2.11089"
                           xFract="0.25010545"
                           y3="6.31045"
                           yFract="0.74768365"
                           z3="4.21191"
                           zFract="0.18955491"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12062"
                           xFract="0.25125829"
                           y3="6.36972"
                           yFract="0.75470616"
                           z3="8.57847"
                           zFract="0.38606976"/>
                     <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="4.29858"
                           xFract="0.50931043"
                           y3="6.33952"
                           yFract="0.75112796"
                           z3="6.42364"
                           zFract="0.28909271"/>
                     <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="6.30252"
                           xFract="0.74674408"
                           y3="4.10092"
                           yFract="0.485891"
                           z3="6.3658"
                           zFract="0.28648965"/>
                     <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="4.18974"
                           xFract="0.49641469"
                           y3="4.19002"
                           yFract="0.49644787"
                           z3="4.26601"
                           zFract="0.19198965"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25539"
                           xFract="0.50419313"
                           y3="4.23048"
                           yFract="0.50124171"
                           z3="8.44789"
                           zFract="0.38019307"/>
                     <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="6.31647"
                           xFract="0.74839692"
                           y3="6.3576"
                           yFract="0.75327014"
                           z3="4.07447"
                           zFract="0.18336949"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3266"
                           xFract="0.74959716"
                           y3="6.36656"
                           yFract="0.75433175"
                           z3="8.62305"
                           zFract="0.38807606"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00886"
                           xFract="0.23801659"
                           y3="2.08384"
                           yFract="0.24690047"
                           z3="9.77619"
                           zFract="0.43997255"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33129"
                           xFract="0.75015284"
                           y3="2.09626"
                           yFract="0.24837204"
                           z3="6.35297"
                           zFract="0.28591224"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33887"
                           xFract="0.75105095"
                           y3="-0.01376"
                           yFract="-0.00163033"
                           z3="8.43005"
                           zFract="0.37939019"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20728"
                           xFract="0.49849289"
                           y3="-0.00773"
                           yFract="-0.00091588"
                           z3="6.35581"
                           zFract="0.28604005"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03296"
                           xFract="0.00390521"
                           y3="0.02686"
                           yFract="0.00318246"
                           z3="6.37904"
                           zFract="0.28708551"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28649"
                           xFract="0.50787796"
                           y3="2.07369"
                           yFract="0.24569787"
                           z3="8.3705"
                           zFract="0.37671017"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.23148"
                           xFract="0.50136019"
                           y3="6.36169"
                           yFract="0.75375474"
                           z3="8.45904"
                           zFract="0.38069487"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23837"
                           xFract="0.50217654"
                           y3="4.2363"
                           yFract="0.50193128"
                           z3="6.32722"
                           zFract="0.28475338"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13028"
                           xFract="0.25240284"
                           y3="4.25016"
                           yFract="0.50357346"
                           z3="4.19091"
                           zFract="0.18860981"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24486"
                           xFract="0.5029455"
                           y3="2.10954"
                           yFract="0.2499455"
                           z3="4.20247"
                           zFract="0.18913006"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37538"
                           xFract="0.75537678"
                           y3="4.23124"
                           yFract="0.50133175"
                           z3="8.3929"
                           zFract="0.37771827"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30903"
                           xFract="0.7475154"
                           y3="-0.01189"
                           yFract="-0.00140877"
                           z3="4.20428"
                           zFract="0.18921152"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11836"
                           xFract="0.25099052"
                           y3="-0.07202"
                           yFract="-0.00853318"
                           z3="8.56919"
                           zFract="0.38565212"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33019"
                           xFract="0.75002251"
                           y3="6.35231"
                           yFract="0.75264336"
                           z3="6.35088"
                           zFract="0.28581818"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12044"
                           xFract="0.25123697"
                           y3="6.36439"
                           yFract="0.75407464"
                           z3="6.34302"
                           zFract="0.28546445"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.14172"
                           xFract="-0.01679147"
                           y3="2.08992"
                           yFract="0.24762085"
                           z3="8.57246"
                           zFract="0.38579928"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00582"
                           xFract="0.00068957"
                           y3="4.21364"
                           yFract="0.49924645"
                           z3="6.36346"
                           zFract="0.28638434"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20928"
                           xFract="0.49872986"
                           y3="6.32947"
                           yFract="0.7499372"
                           z3="4.30265"
                           zFract="0.19363861"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31537"
                           xFract="0.74826659"
                           y3="4.22952"
                           yFract="0.50112796"
                           z3="4.22608"
                           zFract="0.19019262"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13468"
                           xFract="0.25292417"
                           y3="-0.02466"
                           yFract="-0.0029218"
                           z3="4.20585"
                           zFract="0.18928218"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03489"
                           xFract="-0.00413389"
                           y3="2.11971"
                           yFract="0.25115047"
                           z3="4.21376"
                           zFract="0.18963816"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00109"
                           xFract="0.00012915"
                           y3="6.34336"
                           yFract="0.75158294"
                           z3="8.50273"
                           zFract="0.38266112"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05114"
                           xFract="0.24302607"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="6.16285"
                           zFract="0.27735599"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01099"
                           xFract="-0.00130213"
                           y3="6.31672"
                           yFract="0.74842654"
                           z3="4.26959"
                           zFract="0.19215077"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10408"
                           xFract="0.24929858"
                           y3="4.31891"
                           yFract="0.51171919"
                           z3="8.38114"
                           zFract="0.37718902"/>
                     <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="-0.02731"
                           xFract="-0.00323578"
                           y3="2.0737"
                           yFract="0.24569905"
                           z3="6.27757"
                           zFract="0.2825189"/>
                     <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="2.12747"
                           xFract="0.25206991"
                           y3="0.09815"
                           yFract="0.01162915"
                           z3="6.28359"
                           zFract="0.28278983"/>
                     <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="-0.04084"
                           xFract="-0.00483886"
                           y3="-0.01192"
                           yFract="-0.00141232"
                           z3="4.24523"
                           zFract="0.19105446"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01511"
                           xFract="-0.00179028"
                           y3="0.02486"
                           yFract="0.0029455"
                           z3="8.48069"
                           zFract="0.38166922"/>
                     <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="2.15216"
                           xFract="0.25499526"
                           y3="2.14251"
                           yFract="0.2538519"
                           z3="4.12101"
                           zFract="0.185464"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2601"
                           xFract="0.26778436"
                           y3="2.04264"
                           yFract="0.24201896"
                           z3="8.85614"
                           zFract="0.39856616"/>
                     <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="4.22165"
                           xFract="0.5001955"
                           y3="2.1005"
                           yFract="0.24887441"
                           z3="6.33639"
                           zFract="0.28516607"/>
                     <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="6.31165"
                           xFract="0.74782583"
                           y3="0.10504"
                           yFract="0.0124455"
                           z3="6.35007"
                           zFract="0.28578173"/>
                     <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="4.25536"
                           xFract="0.50418957"
                           y3="0.02678"
                           yFract="0.00317299"
                           z3="4.17228"
                           zFract="0.18777138"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26725"
                           xFract="0.50559834"
                           y3="-0.00823"
                           yFract="-0.00097512"
                           z3="8.4494"
                           zFract="0.38026103"/>
                     <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="6.29781"
                           xFract="0.74618602"
                           y3="2.07092"
                           yFract="0.24536967"
                           z3="4.28439"
                           zFract="0.19281683"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26131"
                           xFract="0.74186137"
                           y3="2.06533"
                           yFract="0.24470735"
                           z3="8.42748"
                           zFract="0.37927453"/>
                     <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="-0.06884"
                           xFract="-0.0081564"
                           y3="6.39478"
                           yFract="0.75767536"
                           z3="6.35475"
                           zFract="0.28599235"/>
                     <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="2.17921"
                           xFract="0.25820024"
                           y3="4.10727"
                           yFract="0.48664336"
                           z3="6.3224"
                           zFract="0.28453645"/>
                     <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="0.03769"
                           xFract="0.00446564"
                           y3="4.22838"
                           yFract="0.50099289"
                           z3="4.19273"
                           zFract="0.18869172"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02714"
                           xFract="0.00321564"
                           y3="4.19007"
                           yFract="0.49645379"
                           z3="8.5533"
                           zFract="0.38493699"/>
                     <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="2.11055"
                           xFract="0.25006517"
                           y3="6.31132"
                           yFract="0.74778673"
                           z3="4.20876"
                           zFract="0.18941314"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12093"
                           xFract="0.25129502"
                           y3="6.36773"
                           yFract="0.75447038"
                           z3="8.57865"
                           zFract="0.38607786"/>
                     <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="4.29184"
                           xFract="0.50851185"
                           y3="6.34092"
                           yFract="0.75129384"
                           z3="6.41587"
                           zFract="0.28874302"/>
                     <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="6.2969"
                           xFract="0.7460782"
                           y3="4.10038"
                           yFract="0.48582701"
                           z3="6.35943"
                           zFract="0.28620297"/>
                     <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="4.19271"
                           xFract="0.49676659"
                           y3="4.18912"
                           yFract="0.49634123"
                           z3="4.26509"
                           zFract="0.19194824"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2568"
                           xFract="0.50436019"
                           y3="4.2321"
                           yFract="0.50143365"
                           z3="8.45228"
                           zFract="0.38039064"/>
                     <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="6.31751"
                           xFract="0.74852014"
                           y3="6.35613"
                           yFract="0.75309597"
                           z3="4.0775"
                           zFract="0.18350585"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32775"
                           xFract="0.74973341"
                           y3="6.3684"
                           yFract="0.75454976"
                           z3="8.61261"
                           zFract="0.38760621"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00673"
                           xFract="0.23776422"
                           y3="2.08523"
                           yFract="0.24706517"
                           z3="9.79192"
                           zFract="0.44068047"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3307"
                           xFract="0.75008294"
                           y3="2.09613"
                           yFract="0.24835664"
                           z3="6.35411"
                           zFract="0.28596355"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.33955"
                           xFract="0.75113152"
                           y3="-0.01289"
                           yFract="-0.00152725"
                           z3="8.43165"
                           zFract="0.3794622"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20781"
                           xFract="0.49855569"
                           y3="-0.00825"
                           yFract="-0.00097749"
                           z3="6.3561"
                           zFract="0.28605311"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03265"
                           xFract="0.00386848"
                           y3="0.0269"
                           yFract="0.0031872"
                           z3="6.38094"
                           zFract="0.28717102"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28591"
                           xFract="0.50780924"
                           y3="2.07306"
                           yFract="0.24562322"
                           z3="8.37317"
                           zFract="0.37683033"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22995"
                           xFract="0.50117891"
                           y3="6.36146"
                           yFract="0.75372749"
                           z3="8.45983"
                           zFract="0.38073042"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23912"
                           xFract="0.5022654"
                           y3="4.23621"
                           yFract="0.50192062"
                           z3="6.32635"
                           zFract="0.28471422"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12996"
                           xFract="0.25236493"
                           y3="4.25137"
                           yFract="0.50371682"
                           z3="4.1918"
                           zFract="0.18864986"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24547"
                           xFract="0.50301777"
                           y3="2.10951"
                           yFract="0.24994194"
                           z3="4.20228"
                           zFract="0.18912151"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37663"
                           xFract="0.75552488"
                           y3="4.22998"
                           yFract="0.50118246"
                           z3="8.39336"
                           zFract="0.37773897"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30899"
                           xFract="0.74751066"
                           y3="-0.01216"
                           yFract="-0.00144076"
                           z3="4.20451"
                           zFract="0.18922187"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11919"
                           xFract="0.25108886"
                           y3="-0.07173"
                           yFract="-0.00849882"
                           z3="8.5720"
                           zFract="0.38577858"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33024"
                           xFract="0.75002844"
                           y3="6.35303"
                           yFract="0.75272867"
                           z3="6.35203"
                           zFract="0.28586994"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12085"
                           xFract="0.25128555"
                           y3="6.36547"
                           yFract="0.75420261"
                           z3="6.34566"
                           zFract="0.28558326"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.1410"
                           xFract="-0.01670616"
                           y3="2.0900"
                           yFract="0.24763033"
                           z3="8.57428"
                           zFract="0.38588119"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00622"
                           xFract="0.00073697"
                           y3="4.21428"
                           yFract="0.49932227"
                           z3="6.36442"
                           zFract="0.28642754"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20896"
                           xFract="0.49869194"
                           y3="6.32983"
                           yFract="0.74997986"
                           z3="4.30412"
                           zFract="0.19370477"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31651"
                           xFract="0.74840166"
                           y3="4.22967"
                           yFract="0.50114573"
                           z3="4.22626"
                           zFract="0.19020072"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13409"
                           xFract="0.25285427"
                           y3="-0.02516"
                           yFract="-0.00298104"
                           z3="4.20666"
                           zFract="0.18931863"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03562"
                           xFract="-0.00422038"
                           y3="2.1201"
                           yFract="0.25119668"
                           z3="4.21516"
                           zFract="0.18970117"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00433"
                           xFract="0.00051303"
                           y3="6.34356"
                           yFract="0.75160664"
                           z3="8.50583"
                           zFract="0.38280063"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05089"
                           xFract="0.24299645"
                           y3="2.10224"
                           yFract="0.24908057"
                           z3="6.16422"
                           zFract="0.27741764"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01067"
                           xFract="-0.00126422"
                           y3="6.31605"
                           yFract="0.74834716"
                           z3="4.27096"
                           zFract="0.19221242"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10309"
                           xFract="0.24918128"
                           y3="4.31934"
                           yFract="0.51177014"
                           z3="8.38331"
                           zFract="0.37728668"/>
                     <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="-0.02794"
                           xFract="-0.00331043"
                           y3="2.07538"
                           yFract="0.2458981"
                           z3="6.27851"
                           zFract="0.28256121"/>
                     <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="2.1267"
                           xFract="0.25197867"
                           y3="0.09642"
                           yFract="0.01142417"
                           z3="6.28509"
                           zFract="0.28285734"/>
                     <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="-0.03997"
                           xFract="-0.00473578"
                           y3="-0.01229"
                           yFract="-0.00145616"
                           z3="4.24578"
                           zFract="0.19107921"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01594"
                           xFract="-0.00188863"
                           y3="0.02643"
                           yFract="0.00313152"
                           z3="8.48189"
                           zFract="0.38172322"/>
                     <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="2.15126"
                           xFract="0.25488863"
                           y3="2.14253"
                           yFract="0.25385427"
                           z3="4.12234"
                           zFract="0.18552385"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26146"
                           xFract="0.2679455"
                           y3="2.03848"
                           yFract="0.24152607"
                           z3="8.86105"
                           zFract="0.39878713"/>
                     <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="4.21992"
                           xFract="0.49999052"
                           y3="2.10165"
                           yFract="0.24901066"
                           z3="6.33935"
                           zFract="0.28529928"/>
                     <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="6.31276"
                           xFract="0.74795735"
                           y3="0.10325"
                           yFract="0.01223341"
                           z3="6.34969"
                           zFract="0.28576463"/>
                     <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="4.25508"
                           xFract="0.5041564"
                           y3="0.02654"
                           yFract="0.00314455"
                           z3="4.17253"
                           zFract="0.18778263"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2680"
                           xFract="0.5056872"
                           y3="-0.00762"
                           yFract="-0.00090284"
                           z3="8.44931"
                           zFract="0.38025698"/>
                     <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="6.2978"
                           xFract="0.74618483"
                           y3="2.0705"
                           yFract="0.24531991"
                           z3="4.28279"
                           zFract="0.19274482"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26135"
                           xFract="0.74186611"
                           y3="2.06525"
                           yFract="0.24469787"
                           z3="8.42714"
                           zFract="0.37925923"/>
                     <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="-0.07134"
                           xFract="-0.00845261"
                           y3="6.39409"
                           yFract="0.7575936"
                           z3="6.35546"
                           zFract="0.2860243"/>
                     <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="2.17829"
                           xFract="0.25809123"
                           y3="4.10874"
                           yFract="0.48681754"
                           z3="6.32424"
                           zFract="0.28461926"/>
                     <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="0.03831"
                           xFract="0.0045391"
                           y3="4.22895"
                           yFract="0.50106043"
                           z3="4.19305"
                           zFract="0.18870612"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0283"
                           xFract="0.00335308"
                           y3="4.18794"
                           yFract="0.49620142"
                           z3="8.55439"
                           zFract="0.38498605"/>
                     <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="2.11083"
                           xFract="0.25009834"
                           y3="6.31109"
                           yFract="0.74775948"
                           z3="4.21057"
                           zFract="0.1894946"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12074"
                           xFract="0.25127251"
                           y3="6.36891"
                           yFract="0.75461019"
                           z3="8.57847"
                           zFract="0.38606976"/>
                     <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="4.29458"
                           xFract="0.50883649"
                           y3="6.3404"
                           yFract="0.75123223"
                           z3="6.4189"
                           zFract="0.28887939"/>
                     <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="6.29913"
                           xFract="0.74634242"
                           y3="4.10156"
                           yFract="0.48596682"
                           z3="6.36135"
                           zFract="0.28628938"/>
                     <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="4.19189"
                           xFract="0.49666943"
                           y3="4.18907"
                           yFract="0.49633531"
                           z3="4.2655"
                           zFract="0.1919667"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25526"
                           xFract="0.50417773"
                           y3="4.23082"
                           yFract="0.50128199"
                           z3="8.45147"
                           zFract="0.38035419"/>
                     <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="6.31713"
                           xFract="0.74847512"
                           y3="6.35662"
                           yFract="0.75315403"
                           z3="4.07654"
                           zFract="0.18346265"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3283"
                           xFract="0.74979858"
                           y3="6.36814"
                           yFract="0.75451896"
                           z3="8.61675"
                           zFract="0.38779253"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00242"
                           xFract="0.23725355"
                           y3="2.08803"
                           yFract="0.24739692"
                           z3="9.82372"
                           zFract="0.44211161"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3295"
                           xFract="0.74994076"
                           y3="2.09586"
                           yFract="0.24832464"
                           z3="6.35642"
                           zFract="0.28606751"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34092"
                           xFract="0.75129384"
                           y3="-0.01115"
                           yFract="-0.00132109"
                           z3="8.43487"
                           zFract="0.37960711"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20889"
                           xFract="0.49868365"
                           y3="-0.00931"
                           yFract="-0.00110308"
                           z3="6.35669"
                           zFract="0.28607966"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03203"
                           xFract="0.00379502"
                           y3="0.02696"
                           yFract="0.00319431"
                           z3="6.38478"
                           zFract="0.28734383"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28475"
                           xFract="0.5076718"
                           y3="2.07177"
                           yFract="0.24547038"
                           z3="8.37856"
                           zFract="0.37707291"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22687"
                           xFract="0.50081398"
                           y3="6.36102"
                           yFract="0.75367536"
                           z3="8.46143"
                           zFract="0.38080243"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24065"
                           xFract="0.50244668"
                           y3="4.23605"
                           yFract="0.50190166"
                           z3="6.32461"
                           zFract="0.28463591"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1293"
                           xFract="0.25228673"
                           y3="4.25381"
                           yFract="0.50400592"
                           z3="4.19361"
                           zFract="0.18873132"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24672"
                           xFract="0.50316588"
                           y3="2.10946"
                           yFract="0.24993602"
                           z3="4.20188"
                           zFract="0.18910351"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37917"
                           xFract="0.75582583"
                           y3="4.22744"
                           yFract="0.50088152"
                           z3="8.39429"
                           zFract="0.37778083"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3089"
                           xFract="0.7475"
                           y3="-0.0127"
                           yFract="-0.00150474"
                           z3="4.20499"
                           zFract="0.18924347"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12087"
                           xFract="0.25128791"
                           y3="-0.07114"
                           yFract="-0.00842891"
                           z3="8.57769"
                           zFract="0.38603465"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33033"
                           xFract="0.7500391"
                           y3="6.35447"
                           yFract="0.75289929"
                           z3="6.35437"
                           zFract="0.28597525"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12169"
                           xFract="0.25138507"
                           y3="6.36764"
                           yFract="0.75445972"
                           z3="6.3510"
                           zFract="0.28582358"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13955"
                           xFract="-0.01653436"
                           y3="2.09018"
                           yFract="0.24765166"
                           z3="8.57795"
                           zFract="0.38604635"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00703"
                           xFract="0.00083294"
                           y3="4.21558"
                           yFract="0.4994763"
                           z3="6.36637"
                           zFract="0.2865153"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20831"
                           xFract="0.49861493"
                           y3="6.33057"
                           yFract="0.75006754"
                           z3="4.30709"
                           zFract="0.19383843"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3188"
                           xFract="0.74867299"
                           y3="4.22997"
                           yFract="0.50118128"
                           z3="4.22664"
                           zFract="0.19021782"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1329"
                           xFract="0.25271327"
                           y3="-0.02617"
                           yFract="-0.00310071"
                           z3="4.20831"
                           zFract="0.18939289"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03711"
                           xFract="-0.00439692"
                           y3="2.1209"
                           yFract="0.25129147"
                           z3="4.2180"
                           zFract="0.18982898"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.01087"
                           xFract="0.00128791"
                           y3="6.34395"
                           yFract="0.75165284"
                           z3="8.51209"
                           zFract="0.38308236"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05039"
                           xFract="0.2429372"
                           y3="2.10248"
                           yFract="0.249109"
                           z3="6.16699"
                           zFract="0.2775423"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01002"
                           xFract="-0.0011872"
                           y3="6.31468"
                           yFract="0.74818483"
                           z3="4.27373"
                           zFract="0.19233708"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10109"
                           xFract="0.24894431"
                           y3="4.32022"
                           yFract="0.51187441"
                           z3="8.38768"
                           zFract="0.37748335"/>
                     <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="-0.02922"
                           xFract="-0.00346209"
                           y3="2.07878"
                           yFract="0.24630095"
                           z3="6.2804"
                           zFract="0.28264626"/>
                     <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="2.12514"
                           xFract="0.25179384"
                           y3="0.09291"
                           yFract="0.01100829"
                           z3="6.2881"
                           zFract="0.2829928"/>
                     <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="-0.03819"
                           xFract="-0.00452488"
                           y3="-0.01304"
                           yFract="-0.00154502"
                           z3="4.2469"
                           zFract="0.19112961"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0176"
                           xFract="-0.00208531"
                           y3="0.0296"
                           yFract="0.00350711"
                           z3="8.48432"
                           zFract="0.38183258"/>
                     <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="2.14945"
                           xFract="0.25467417"
                           y3="2.14256"
                           yFract="0.25385782"
                           z3="4.12503"
                           zFract="0.18564491"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26422"
                           xFract="0.26827251"
                           y3="2.03007"
                           yFract="0.24052962"
                           z3="8.87096"
                           zFract="0.39923312"/>
                     <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="4.2164"
                           xFract="0.49957346"
                           y3="2.10399"
                           yFract="0.24928791"
                           z3="6.34534"
                           zFract="0.28556886"/>
                     <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="6.31501"
                           xFract="0.74822393"
                           y3="0.09963"
                           yFract="0.0118045"
                           z3="6.34894"
                           zFract="0.28573087"/>
                     <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="4.25453"
                           xFract="0.50409123"
                           y3="0.02604"
                           yFract="0.00308531"
                           z3="4.17304"
                           zFract="0.18780558"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26952"
                           xFract="0.5058673"
                           y3="-0.00639"
                           yFract="-0.00075711"
                           z3="8.44913"
                           zFract="0.38024887"/>
                     <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="6.29777"
                           xFract="0.74618128"
                           y3="2.06964"
                           yFract="0.24521801"
                           z3="4.27953"
                           zFract="0.19259811"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26143"
                           xFract="0.74187559"
                           y3="2.06509"
                           yFract="0.24467891"
                           z3="8.42644"
                           zFract="0.37922772"/>
                     <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="-0.0764"
                           xFract="-0.00905213"
                           y3="6.3927"
                           yFract="0.75742891"
                           z3="6.3569"
                           zFract="0.28608911"/>
                     <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="2.17642"
                           xFract="0.25786967"
                           y3="4.11171"
                           yFract="0.48716943"
                           z3="6.32796"
                           zFract="0.28478668"/>
                     <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="0.03957"
                           xFract="0.00468839"
                           y3="4.23009"
                           yFract="0.5011955"
                           z3="4.19369"
                           zFract="0.18873492"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03066"
                           xFract="0.0036327"
                           y3="4.18364"
                           yFract="0.49569194"
                           z3="8.55662"
                           zFract="0.38508641"/>
                     <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="2.11139"
                           xFract="0.25016469"
                           y3="6.31062"
                           yFract="0.74770379"
                           z3="4.21424"
                           zFract="0.18965977"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12036"
                           xFract="0.25122749"
                           y3="6.3713"
                           yFract="0.75489336"
                           z3="8.5781"
                           zFract="0.38605311"/>
                     <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="4.30013"
                           xFract="0.50949408"
                           y3="6.33936"
                           yFract="0.751109"
                           z3="6.42502"
                           zFract="0.28915482"/>
                     <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="6.30364"
                           xFract="0.74687678"
                           y3="4.10394"
                           yFract="0.48624882"
                           z3="6.36524"
                           zFract="0.28646445"/>
                     <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="4.19025"
                           xFract="0.49647512"
                           y3="4.18899"
                           yFract="0.49632583"
                           z3="4.26634"
                           zFract="0.1920045"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25215"
                           xFract="0.50380924"
                           y3="4.22822"
                           yFract="0.50097393"
                           z3="8.44984"
                           zFract="0.38028083"/>
                     <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="6.31637"
                           xFract="0.74838507"
                           y3="6.35761"
                           yFract="0.75327133"
                           z3="4.07461"
                           zFract="0.18337579"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32941"
                           xFract="0.74993009"
                           y3="6.36762"
                           yFract="0.75445735"
                           z3="8.62514"
                           zFract="0.38817012"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00363"
                           xFract="0.23739692"
                           y3="2.08724"
                           yFract="0.24730332"
                           z3="9.81476"
                           zFract="0.44170837"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32984"
                           xFract="0.74998104"
                           y3="2.09594"
                           yFract="0.24833412"
                           z3="6.35577"
                           zFract="0.28603825"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34054"
                           xFract="0.75124882"
                           y3="-0.01164"
                           yFract="-0.00137915"
                           z3="8.43396"
                           zFract="0.37956616"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20859"
                           xFract="0.4986481"
                           y3="-0.00901"
                           yFract="-0.00106754"
                           z3="6.35652"
                           zFract="0.28607201"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0322"
                           xFract="0.00381517"
                           y3="0.02694"
                           yFract="0.00319194"
                           z3="6.3837"
                           zFract="0.28729523"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28508"
                           xFract="0.5077109"
                           y3="2.07213"
                           yFract="0.24551303"
                           z3="8.37704"
                           zFract="0.3770045"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.22774"
                           xFract="0.50091706"
                           y3="6.36114"
                           yFract="0.75368957"
                           z3="8.46098"
                           zFract="0.38078218"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24022"
                           xFract="0.50239573"
                           y3="4.23609"
                           yFract="0.5019064"
                           z3="6.3251"
                           zFract="0.28465797"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12948"
                           xFract="0.25230806"
                           y3="4.25312"
                           yFract="0.50392417"
                           z3="4.1931"
                           zFract="0.18870837"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24637"
                           xFract="0.50312441"
                           y3="2.10947"
                           yFract="0.2499372"
                           z3="4.20199"
                           zFract="0.18910846"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37845"
                           xFract="0.75574052"
                           y3="4.22816"
                           yFract="0.50096682"
                           z3="8.39403"
                           zFract="0.37776913"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30893"
                           xFract="0.74750355"
                           y3="-0.01255"
                           yFract="-0.00148697"
                           z3="4.20486"
                           zFract="0.18923762"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12039"
                           xFract="0.25123104"
                           y3="-0.0713"
                           yFract="-0.00844787"
                           z3="8.57609"
                           zFract="0.38596265"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3303"
                           xFract="0.75003555"
                           y3="6.35406"
                           yFract="0.75285071"
                           z3="6.35371"
                           zFract="0.28594554"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12146"
                           xFract="0.25135782"
                           y3="6.36703"
                           yFract="0.75438744"
                           z3="6.34949"
                           zFract="0.28575563"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13996"
                           xFract="-0.01658294"
                           y3="2.09013"
                           yFract="0.24764573"
                           z3="8.57692"
                           zFract="0.3860"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0068"
                           xFract="0.00080569"
                           y3="4.21521"
                           yFract="0.49943246"
                           z3="6.36582"
                           zFract="0.28649055"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20849"
                           xFract="0.49863626"
                           y3="6.33036"
                           yFract="0.75004265"
                           z3="4.30625"
                           zFract="0.19380063"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31815"
                           xFract="0.74859597"
                           y3="4.22989"
                           yFract="0.5011718"
                           z3="4.22653"
                           zFract="0.19021287"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13323"
                           xFract="0.25275237"
                           y3="-0.02588"
                           yFract="-0.00306635"
                           z3="4.20784"
                           zFract="0.18937174"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03669"
                           xFract="-0.00434716"
                           y3="2.12068"
                           yFract="0.2512654"
                           z3="4.2172"
                           zFract="0.18979298"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00903"
                           xFract="0.00106991"
                           y3="6.34384"
                           yFract="0.75163981"
                           z3="8.51033"
                           zFract="0.38300315"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05053"
                           xFract="0.24295379"
                           y3="2.10241"
                           yFract="0.24910071"
                           z3="6.16621"
                           zFract="0.2775072"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0102"
                           xFract="-0.00120853"
                           y3="6.31507"
                           yFract="0.74823104"
                           z3="4.27295"
                           zFract="0.19230198"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10165"
                           xFract="0.24901066"
                           y3="4.31997"
                           yFract="0.51184479"
                           z3="8.38645"
                           zFract="0.37742799"/>
                     <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="-0.02886"
                           xFract="-0.00341943"
                           y3="2.07782"
                           yFract="0.2461872"
                           z3="6.27987"
                           zFract="0.28262241"/>
                     <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="2.12558"
                           xFract="0.25184597"
                           y3="0.0939"
                           yFract="0.01112559"
                           z3="6.28725"
                           zFract="0.28295455"/>
                     <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="-0.03869"
                           xFract="-0.00458412"
                           y3="-0.01283"
                           yFract="-0.00152014"
                           z3="4.24659"
                           zFract="0.19111566"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01713"
                           xFract="-0.00202962"
                           y3="0.0287"
                           yFract="0.00340047"
                           z3="8.48363"
                           zFract="0.38180153"/>
                     <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="2.14996"
                           xFract="0.2547346"
                           y3="2.14255"
                           yFract="0.25385664"
                           z3="4.12427"
                           zFract="0.18561071"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26344"
                           xFract="0.26818009"
                           y3="2.03244"
                           yFract="0.24081043"
                           z3="8.86817"
                           zFract="0.39910756"/>
                     <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="4.21739"
                           xFract="0.49969076"
                           y3="2.10333"
                           yFract="0.24920972"
                           z3="6.34365"
                           zFract="0.2854928"/>
                     <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="6.31438"
                           xFract="0.74814929"
                           y3="0.10065"
                           yFract="0.01192536"
                           z3="6.34915"
                           zFract="0.28574032"/>
                     <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="4.25469"
                           xFract="0.50411019"
                           y3="0.02618"
                           yFract="0.0031019"
                           z3="4.17289"
                           zFract="0.18779883"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.26909"
                           xFract="0.50581635"
                           y3="-0.00673"
                           yFract="-0.00079739"
                           z3="8.44918"
                           zFract="0.38025113"/>
                     <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="6.29778"
                           xFract="0.74618246"
                           y3="2.06988"
                           yFract="0.24524645"
                           z3="4.28045"
                           zFract="0.19263951"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26141"
                           xFract="0.74187322"
                           y3="2.06513"
                           yFract="0.24468365"
                           z3="8.42664"
                           zFract="0.37923672"/>
                     <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="-0.07498"
                           xFract="-0.00888389"
                           y3="6.39309"
                           yFract="0.75747512"
                           z3="6.35649"
                           zFract="0.28607066"/>
                     <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="2.17695"
                           xFract="0.25793246"
                           y3="4.11087"
                           yFract="0.48706991"
                           z3="6.32691"
                           zFract="0.28473942"/>
                     <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="0.03922"
                           xFract="0.00464692"
                           y3="4.22977"
                           yFract="0.50115758"
                           z3="4.19351"
                           zFract="0.18872682"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0300"
                           xFract="0.0035545"
                           y3="4.18485"
                           yFract="0.49583531"
                           z3="8.55599"
                           zFract="0.38505806"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11124"
                           xFract="0.25014692"
                           y3="6.31075"
                           yFract="0.74771919"
                           z3="4.2132"
                           zFract="0.18961296"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12047"
                           xFract="0.25124052"
                           y3="6.37062"
                           yFract="0.7548128"
                           z3="8.5782"
                           zFract="0.38605761"/>
                     <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="4.29857"
                           xFract="0.50930924"
                           y3="6.33965"
                           yFract="0.75114336"
                           z3="6.42329"
                           zFract="0.28907696"/>
                     <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="6.30237"
                           xFract="0.7467263"
                           y3="4.10327"
                           yFract="0.48616943"
                           z3="6.36414"
                           zFract="0.28641494"/>
                     <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="4.19071"
                           xFract="0.49652962"
                           y3="4.18902"
                           yFract="0.49632938"
                           z3="4.2661"
                           zFract="0.1919937"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25302"
                           xFract="0.50391232"
                           y3="4.22895"
                           yFract="0.50106043"
                           z3="8.4503"
                           zFract="0.38030153"/>
                     <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="6.31658"
                           xFract="0.74840995"
                           y3="6.35733"
                           yFract="0.75323815"
                           z3="4.07516"
                           zFract="0.18340054"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32909"
                           xFract="0.74989218"
                           y3="6.36777"
                           yFract="0.75447512"
                           z3="8.62278"
                           zFract="0.38806391"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a27 a73" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00382"
                           xFract="0.23741943"
                           y3="2.08813"
                           yFract="0.24740877"
                           z3="9.82319"
                           zFract="0.44208776"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32915"
                           xFract="0.74989929"
                           y3="2.09467"
                           yFract="0.24818365"
                           z3="6.35553"
                           zFract="0.28602745"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3413"
                           xFract="0.75133886"
                           y3="-0.01292"
                           yFract="-0.00153081"
                           z3="8.43474"
                           zFract="0.37960126"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20915"
                           xFract="0.49871445"
                           y3="-0.0087"
                           yFract="-0.00103081"
                           z3="6.35741"
                           zFract="0.28611206"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03136"
                           xFract="0.00371564"
                           y3="0.02698"
                           yFract="0.00319668"
                           z3="6.38507"
                           zFract="0.28735689"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2826"
                           xFract="0.50741706"
                           y3="2.07247"
                           yFract="0.24555332"
                           z3="8.37916"
                           zFract="0.37709991"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2284"
                           xFract="0.50099526"
                           y3="6.36059"
                           yFract="0.75362441"
                           z3="8.46153"
                           zFract="0.38080693"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24014"
                           xFract="0.50238626"
                           y3="4.23576"
                           yFract="0.5018673"
                           z3="6.32593"
                           zFract="0.28469532"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12897"
                           xFract="0.25224763"
                           y3="4.25373"
                           yFract="0.50399645"
                           z3="4.19485"
                           zFract="0.18878713"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24616"
                           xFract="0.50309953"
                           y3="2.10943"
                           yFract="0.24993246"
                           z3="4.20323"
                           zFract="0.18916427"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37882"
                           xFract="0.75578436"
                           y3="4.22816"
                           yFract="0.50096682"
                           z3="8.39526"
                           zFract="0.37782448"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30963"
                           xFract="0.74758649"
                           y3="-0.01277"
                           yFract="-0.00151303"
                           z3="4.20504"
                           zFract="0.18924572"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12101"
                           xFract="0.2513045"
                           y3="-0.0701"
                           yFract="-0.00830569"
                           z3="8.57892"
                           zFract="0.38609001"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33061"
                           xFract="0.75007227"
                           y3="6.35451"
                           yFract="0.75290403"
                           z3="6.35617"
                           zFract="0.28605626"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12173"
                           xFract="0.25138981"
                           y3="6.36732"
                           yFract="0.7544218"
                           z3="6.35107"
                           zFract="0.28582673"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13914"
                           xFract="-0.01648578"
                           y3="2.09009"
                           yFract="0.247641"
                           z3="8.57837"
                           zFract="0.38606526"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00771"
                           xFract="0.00091351"
                           y3="4.21613"
                           yFract="0.49954147"
                           z3="6.36656"
                           zFract="0.28652385"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20811"
                           xFract="0.49859123"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="4.30694"
                           zFract="0.19383168"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31898"
                           xFract="0.74869431"
                           y3="4.2300"
                           yFract="0.50118483"
                           z3="4.22676"
                           zFract="0.19022322"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.13229"
                           xFract="0.252641"
                           y3="-0.02633"
                           yFract="-0.00311967"
                           z3="4.20923"
                           zFract="0.18943429"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03697"
                           xFract="-0.00438033"
                           y3="2.12066"
                           yFract="0.25126303"
                           z3="4.21862"
                           zFract="0.18985689"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0092"
                           xFract="0.00109005"
                           y3="6.34478"
                           yFract="0.75175118"
                           z3="8.51239"
                           zFract="0.38309586"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05134"
                           xFract="0.24304976"
                           y3="2.10265"
                           yFract="0.24912915"
                           z3="6.16852"
                           zFract="0.27761116"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00966"
                           xFract="-0.00114455"
                           y3="6.31522"
                           yFract="0.74824882"
                           z3="4.27391"
                           zFract="0.19234518"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10188"
                           xFract="0.24903791"
                           y3="4.3190"
                           yFract="0.51172986"
                           z3="8.38803"
                           zFract="0.3774991"/>
                     <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="-0.02941"
                           xFract="-0.0034846"
                           y3="2.07826"
                           yFract="0.24623934"
                           z3="6.28081"
                           zFract="0.28266472"/>
                     <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="2.12494"
                           xFract="0.25177014"
                           y3="0.09199"
                           yFract="0.01089929"
                           z3="6.28873"
                           zFract="0.28302115"/>
                     <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="-0.03822"
                           xFract="-0.00452844"
                           y3="-0.01304"
                           yFract="-0.00154502"
                           z3="4.24742"
                           zFract="0.19115302"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.01828"
                           xFract="-0.00216588"
                           y3="0.02939"
                           yFract="0.00348223"
                           z3="8.48484"
                           zFract="0.38185599"/>
                     <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="2.14986"
                           xFract="0.25472275"
                           y3="2.14289"
                           yFract="0.25389692"
                           z3="4.12433"
                           zFract="0.18561341"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26308"
                           xFract="0.26813744"
                           y3="2.02945"
                           yFract="0.24045616"
                           z3="8.87701"
                           zFract="0.3995054"/>
                     <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="4.2163"
                           xFract="0.49956161"
                           y3="2.10347"
                           yFract="0.2492263"
                           z3="6.34468"
                           zFract="0.28553915"/>
                     <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="6.31503"
                           xFract="0.7482263"
                           y3="0.09949"
                           yFract="0.01178791"
                           z3="6.34966"
                           zFract="0.28576328"/>
                     <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="4.25442"
                           xFract="0.5040782"
                           y3="0.0264"
                           yFract="0.00312796"
                           z3="4.17367"
                           zFract="0.18783393"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2697"
                           xFract="0.50588863"
                           y3="-0.0068"
                           yFract="-0.00080569"
                           z3="8.44959"
                           zFract="0.38026958"/>
                     <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="6.29717"
                           xFract="0.74611019"
                           y3="2.06997"
                           yFract="0.24525711"
                           z3="4.27995"
                           zFract="0.19261701"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26373"
                           xFract="0.7421481"
                           y3="2.06538"
                           yFract="0.24471327"
                           z3="8.42743"
                           zFract="0.37927228"/>
                     <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="-0.07689"
                           xFract="-0.00911019"
                           y3="6.39253"
                           yFract="0.75740877"
                           z3="6.35796"
                           zFract="0.28613681"/>
                     <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="2.17564"
                           xFract="0.25777725"
                           y3="4.11329"
                           yFract="0.48735664"
                           z3="6.3285"
                           zFract="0.28481098"/>
                     <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="0.03946"
                           xFract="0.00467536"
                           y3="4.23009"
                           yFract="0.5011955"
                           z3="4.19255"
                           zFract="0.18868362"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.03132"
                           xFract="0.0037109"
                           y3="4.18319"
                           yFract="0.49563863"
                           z3="8.55787"
                           zFract="0.38514266"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1117"
                           xFract="0.25020142"
                           y3="6.31083"
                           yFract="0.74772867"
                           z3="4.21515"
                           zFract="0.18970072"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12023"
                           xFract="0.25121209"
                           y3="6.37187"
                           yFract="0.7549609"
                           z3="8.57815"
                           zFract="0.38605536"/>
                     <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="4.3006"
                           xFract="0.50954976"
                           y3="6.33937"
                           yFract="0.75111019"
                           z3="6.4252"
                           zFract="0.28916292"/>
                     <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="6.30372"
                           xFract="0.74688626"
                           y3="4.10519"
                           yFract="0.48639692"
                           z3="6.36449"
                           zFract="0.28643069"/>
                     <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="4.19082"
                           xFract="0.49654265"
                           y3="4.18857"
                           yFract="0.49627607"
                           z3="4.26651"
                           zFract="0.19201215"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25079"
                           xFract="0.5036481"
                           y3="4.22743"
                           yFract="0.50088033"
                           z3="8.45113"
                           zFract="0.38033888"/>
                     <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="6.31629"
                           xFract="0.74837559"
                           y3="6.35742"
                           yFract="0.75324882"
                           z3="4.07467"
                           zFract="0.18337849"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33089"
                           xFract="0.75010545"
                           y3="6.36823"
                           yFract="0.75452962"
                           z3="8.62588"
                           zFract="0.38820342"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00437"
                           xFract="0.2374846"
                           y3="2.09081"
                           yFract="0.2477263"
                           z3="9.84846"
                           zFract="0.44322502"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32709"
                           xFract="0.74965521"
                           y3="2.09087"
                           yFract="0.24773341"
                           z3="6.3548"
                           zFract="0.2859946"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3436"
                           xFract="0.75161137"
                           y3="-0.01676"
                           yFract="-0.00198578"
                           z3="8.43706"
                           zFract="0.37970567"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21082"
                           xFract="0.49891232"
                           y3="-0.00776"
                           yFract="-0.00091943"
                           z3="6.36006"
                           zFract="0.28623132"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02885"
                           xFract="0.00341825"
                           y3="0.02707"
                           yFract="0.00320735"
                           z3="6.38921"
                           zFract="0.2875432"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27515"
                           xFract="0.50653436"
                           y3="2.07348"
                           yFract="0.24567299"
                           z3="8.38553"
                           zFract="0.37738659"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.23037"
                           xFract="0.50122867"
                           y3="6.35894"
                           yFract="0.75342891"
                           z3="8.46318"
                           zFract="0.38088119"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23989"
                           xFract="0.50235664"
                           y3="4.23478"
                           yFract="0.50175118"
                           z3="6.32842"
                           zFract="0.28480738"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12742"
                           xFract="0.25206398"
                           y3="4.25554"
                           yFract="0.5042109"
                           z3="4.2001"
                           zFract="0.1890234"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24553"
                           xFract="0.50302488"
                           y3="2.10929"
                           yFract="0.24991588"
                           z3="4.20694"
                           zFract="0.18933123"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.37991"
                           xFract="0.75591351"
                           y3="4.22818"
                           yFract="0.50096919"
                           z3="8.39895"
                           zFract="0.37799055"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31175"
                           xFract="0.74783768"
                           y3="-0.01342"
                           yFract="-0.00159005"
                           z3="4.20557"
                           zFract="0.18926958"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12285"
                           xFract="0.25152251"
                           y3="-0.06647"
                           yFract="-0.00787559"
                           z3="8.58739"
                           zFract="0.3864712"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33152"
                           xFract="0.75018009"
                           y3="6.35587"
                           yFract="0.75306517"
                           z3="6.36353"
                           zFract="0.28638749"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12254"
                           xFract="0.25148578"
                           y3="6.3682"
                           yFract="0.75452607"
                           z3="6.3558"
                           zFract="0.2860396"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13668"
                           xFract="-0.01619431"
                           y3="2.08995"
                           yFract="0.24762441"
                           z3="8.58274"
                           zFract="0.38626193"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01044"
                           xFract="0.00123697"
                           y3="4.21887"
                           yFract="0.49986611"
                           z3="6.36878"
                           zFract="0.28662376"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20697"
                           xFract="0.49845616"
                           y3="6.33196"
                           yFract="0.75023223"
                           z3="4.30899"
                           zFract="0.19392394"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32149"
                           xFract="0.74899171"
                           y3="4.23033"
                           yFract="0.50122393"
                           z3="4.22747"
                           zFract="0.19025518"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12947"
                           xFract="0.25230687"
                           y3="-0.02767"
                           yFract="-0.00327844"
                           z3="4.21341"
                           zFract="0.18962241"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03779"
                           xFract="-0.00447749"
                           y3="2.12061"
                           yFract="0.25125711"
                           z3="4.22288"
                           zFract="0.1900486"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00973"
                           xFract="0.00115284"
                           y3="6.3476"
                           yFract="0.75208531"
                           z3="8.51856"
                           zFract="0.38337354"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05378"
                           xFract="0.24333886"
                           y3="2.10337"
                           yFract="0.24921445"
                           z3="6.17546"
                           zFract="0.27792349"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00802"
                           xFract="-0.00095024"
                           y3="6.31568"
                           yFract="0.74830332"
                           z3="4.2768"
                           zFract="0.19247525"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10254"
                           xFract="0.24911611"
                           y3="4.31607"
                           yFract="0.5113827"
                           z3="8.39277"
                           zFract="0.37771242"/>
                     <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="-0.03108"
                           xFract="-0.00368246"
                           y3="2.07959"
                           yFract="0.24639692"
                           z3="6.28362"
                           zFract="0.28279118"/>
                     <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="2.12302"
                           xFract="0.25154265"
                           y3="0.08626"
                           yFract="0.01022038"
                           z3="6.29315"
                           zFract="0.28322007"/>
                     <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="-0.03679"
                           xFract="-0.004359"
                           y3="-0.01367"
                           yFract="-0.00161967"
                           z3="4.24992"
                           zFract="0.19126553"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02171"
                           xFract="-0.00257227"
                           y3="0.03143"
                           yFract="0.00372393"
                           z3="8.48845"
                           zFract="0.38201845"/>
                     <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="2.14957"
                           xFract="0.25468839"
                           y3="2.14392"
                           yFract="0.25401896"
                           z3="4.12451"
                           zFract="0.18562151"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26201"
                           xFract="0.26801066"
                           y3="2.02049"
                           yFract="0.23939455"
                           z3="8.90353"
                           zFract="0.40069892"/>
                     <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="4.21304"
                           xFract="0.49917536"
                           y3="2.10387"
                           yFract="0.2492737"
                           z3="6.34777"
                           zFract="0.28567822"/>
                     <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="6.31699"
                           xFract="0.74845853"
                           y3="0.0960"
                           yFract="0.01137441"
                           z3="6.35117"
                           zFract="0.28583123"/>
                     <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="4.2536"
                           xFract="0.50398104"
                           y3="0.02704"
                           yFract="0.00320379"
                           z3="4.17599"
                           zFract="0.18793834"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27152"
                           xFract="0.50610427"
                           y3="-0.00698"
                           yFract="-0.00082701"
                           z3="8.45082"
                           zFract="0.38032493"/>
                     <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="6.29536"
                           xFract="0.74589573"
                           y3="2.07025"
                           yFract="0.24529028"
                           z3="4.27847"
                           zFract="0.19255041"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27071"
                           xFract="0.74297512"
                           y3="2.06613"
                           yFract="0.24480213"
                           z3="8.42979"
                           zFract="0.37937849"/>
                     <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="-0.08264"
                           xFract="-0.00979147"
                           y3="6.39085"
                           yFract="0.75720972"
                           z3="6.36237"
                           zFract="0.28633528"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.17173"
                           xFract="0.25731398"
                           y3="4.12054"
                           yFract="0.48821564"
                           z3="6.33328"
                           zFract="0.2850261"/>
                     <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="0.04018"
                           xFract="0.00476066"
                           y3="4.23105"
                           yFract="0.50130924"
                           z3="4.18969"
                           zFract="0.18855491"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0353"
                           xFract="0.00418246"
                           y3="4.17819"
                           yFract="0.49504621"
                           z3="8.56353"
                           zFract="0.38539739"/>
                     <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="2.11309"
                           xFract="0.25036611"
                           y3="6.31106"
                           yFract="0.74775592"
                           z3="4.22099"
                           zFract="0.18996355"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11952"
                           xFract="0.25112796"
                           y3="6.37561"
                           yFract="0.75540403"
                           z3="8.5780"
                           zFract="0.3860486"/>
                     <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="4.3067"
                           xFract="0.51027251"
                           y3="6.3385"
                           yFract="0.75100711"
                           z3="6.4309"
                           zFract="0.28941944"/>
                     <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="6.30778"
                           xFract="0.7473673"
                           y3="4.11095"
                           yFract="0.48707938"
                           z3="6.36553"
                           zFract="0.2864775"/>
                     <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="4.19113"
                           xFract="0.49657938"
                           y3="4.18723"
                           yFract="0.4961173"
                           z3="4.26775"
                           zFract="0.19206796"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.24411"
                           xFract="0.50285664"
                           y3="4.22288"
                           yFract="0.50034123"
                           z3="8.45362"
                           zFract="0.38045095"/>
                     <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="6.3154"
                           xFract="0.74827014"
                           y3="6.35768"
                           yFract="0.75327962"
                           z3="4.0732"
                           zFract="0.18331233"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33626"
                           xFract="0.75074171"
                           y3="6.36964"
                           yFract="0.75469668"
                           z3="8.6352"
                           zFract="0.38862286"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a32" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a67" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00548"
                           xFract="0.23761611"
                           y3="2.09616"
                           yFract="0.24836019"
                           z3="9.89902"
                           zFract="0.44550045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32295"
                           xFract="0.74916469"
                           y3="2.08327"
                           yFract="0.24683294"
                           z3="6.35335"
                           zFract="0.28592934"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3482"
                           xFract="0.7521564"
                           y3="-0.02444"
                           yFract="-0.00289573"
                           z3="8.44171"
                           zFract="0.37991494"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21417"
                           xFract="0.49930924"
                           y3="-0.00589"
                           yFract="-0.00069787"
                           z3="6.36536"
                           zFract="0.28646985"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02381"
                           xFract="0.00282109"
                           y3="0.02726"
                           yFract="0.00322986"
                           z3="6.39749"
                           zFract="0.28791584"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26027"
                           xFract="0.50477133"
                           y3="2.07549"
                           yFract="0.24591114"
                           z3="8.39825"
                           zFract="0.37795905"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.23431"
                           xFract="0.5016955"
                           y3="6.35563"
                           yFract="0.75303673"
                           z3="8.46649"
                           zFract="0.38103015"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23938"
                           xFract="0.50229621"
                           y3="4.2328"
                           yFract="0.50151659"
                           z3="6.33339"
                           zFract="0.28503105"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12433"
                           xFract="0.25169787"
                           y3="4.25917"
                           yFract="0.504641"
                           z3="4.21061"
                           zFract="0.1894964"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24428"
                           xFract="0.50287678"
                           y3="2.1090"
                           yFract="0.24988152"
                           z3="4.21436"
                           zFract="0.18966517"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38208"
                           xFract="0.75617062"
                           y3="4.22821"
                           yFract="0.50097275"
                           z3="8.40633"
                           zFract="0.37832268"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31599"
                           xFract="0.74834005"
                           y3="-0.01474"
                           yFract="-0.00174645"
                           z3="4.20664"
                           zFract="0.18931773"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12654"
                           xFract="0.25195972"
                           y3="-0.05923"
                           yFract="-0.00701777"
                           z3="8.60435"
                           zFract="0.38723447"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="6.35858"
                           yFract="0.75338626"
                           z3="6.37826"
                           zFract="0.28705041"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12416"
                           xFract="0.25167773"
                           y3="6.36994"
                           yFract="0.75473223"
                           z3="6.36525"
                           zFract="0.2864649"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.13176"
                           xFract="-0.01561137"
                           y3="2.08968"
                           yFract="0.24759242"
                           z3="8.59147"
                           zFract="0.38665482"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01591"
                           xFract="0.00188507"
                           y3="4.22435"
                           yFract="0.5005154"
                           z3="6.37321"
                           zFract="0.28682313"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2047"
                           xFract="0.4981872"
                           y3="6.33437"
                           yFract="0.75051777"
                           z3="4.31309"
                           zFract="0.19410846"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32649"
                           xFract="0.74958412"
                           y3="4.23098"
                           yFract="0.50130095"
                           z3="4.22887"
                           zFract="0.19031818"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12381"
                           xFract="0.25163626"
                           y3="-0.03036"
                           yFract="-0.00359716"
                           z3="4.22176"
                           zFract="0.1899982"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03944"
                           xFract="-0.00467299"
                           y3="2.1205"
                           yFract="0.25124408"
                           z3="4.23138"
                           zFract="0.19043114"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.01077"
                           xFract="0.00127607"
                           y3="6.35324"
                           yFract="0.75275355"
                           z3="8.53092"
                           zFract="0.38392979"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05866"
                           xFract="0.24391706"
                           y3="2.10481"
                           yFract="0.24938507"
                           z3="6.18933"
                           zFract="0.2785477"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00475"
                           xFract="-0.0005628"
                           y3="6.3166"
                           yFract="0.74841232"
                           z3="4.28257"
                           zFract="0.19273492"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10388"
                           xFract="0.24927488"
                           y3="4.31021"
                           yFract="0.51068839"
                           z3="8.40226"
                           zFract="0.37813951"/>
                     <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="-0.03441"
                           xFract="-0.00407701"
                           y3="2.08224"
                           yFract="0.2467109"
                           z3="6.28925"
                           zFract="0.28304455"/>
                     <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="2.11919"
                           xFract="0.25108886"
                           y3="0.0748"
                           yFract="0.00886256"
                           z3="6.30201"
                           zFract="0.28361881"/>
                     <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="-0.03395"
                           xFract="-0.00402251"
                           y3="-0.01494"
                           yFract="-0.00177014"
                           z3="4.25493"
                           zFract="0.191491"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.02857"
                           xFract="-0.00338507"
                           y3="0.03553"
                           yFract="0.00420972"
                           z3="8.49568"
                           zFract="0.38234383"/>
                     <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="2.1490"
                           xFract="0.25462085"
                           y3="2.14597"
                           yFract="0.25426185"
                           z3="4.12487"
                           zFract="0.18563771"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25986"
                           xFract="0.26775592"
                           y3="2.00256"
                           yFract="0.23727014"
                           z3="8.95657"
                           zFract="0.40308596"/>
                     <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="4.20652"
                           xFract="0.49840284"
                           y3="2.10466"
                           yFract="0.2493673"
                           z3="6.35395"
                           zFract="0.28595635"/>
                     <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="6.32091"
                           xFract="0.74892299"
                           y3="0.08902"
                           yFract="0.01054739"
                           z3="6.3542"
                           zFract="0.2859676"/>
                     <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="4.25197"
                           xFract="0.50378791"
                           y3="0.02832"
                           yFract="0.00335545"
                           z3="4.18063"
                           zFract="0.18814716"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27516"
                           xFract="0.50653555"
                           y3="-0.00736"
                           yFract="-0.00087204"
                           z3="8.45329"
                           zFract="0.38043609"/>
                     <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="6.29172"
                           xFract="0.74546445"
                           y3="2.0708"
                           yFract="0.24535545"
                           z3="4.2755"
                           zFract="0.19241674"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28467"
                           xFract="0.74462915"
                           y3="2.06762"
                           yFract="0.24497867"
                           z3="8.43452"
                           zFract="0.37959136"/>
                     <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="-0.09415"
                           xFract="-0.01115521"
                           y3="6.38748"
                           yFract="0.75681043"
                           z3="6.37118"
                           zFract="0.28673177"/>
                     <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="2.16391"
                           xFract="0.25638744"
                           y3="4.13505"
                           yFract="0.48993483"
                           z3="6.34284"
                           zFract="0.28545635"/>
                     <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="0.04163"
                           xFract="0.00493246"
                           y3="4.23299"
                           yFract="0.5015391"
                           z3="4.18396"
                           zFract="0.18829703"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04324"
                           xFract="0.00512322"
                           y3="4.16821"
                           yFract="0.49386374"
                           z3="8.57483"
                           zFract="0.38590594"/>
                     <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="2.11587"
                           xFract="0.2506955"
                           y3="6.31152"
                           yFract="0.74781043"
                           z3="4.23266"
                           zFract="0.19048875"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11809"
                           xFract="0.25095853"
                           y3="6.38308"
                           yFract="0.7562891"
                           z3="8.5777"
                           zFract="0.3860351"/>
                     <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="4.3189"
                           xFract="0.51171801"
                           y3="6.33678"
                           yFract="0.75080332"
                           z3="6.4423"
                           zFract="0.28993249"/>
                     <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="4.12246"
                           yFract="0.48844313"
                           z3="6.36761"
                           zFract="0.28657111"/>
                     <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="4.19177"
                           xFract="0.49665521"
                           y3="4.18455"
                           yFract="0.49579976"
                           z3="4.27022"
                           zFract="0.19217912"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23073"
                           xFract="0.50127133"
                           y3="4.21379"
                           yFract="0.49926422"
                           z3="8.4586"
                           zFract="0.38067507"/>
                     <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="6.31362"
                           xFract="0.74805924"
                           y3="6.3582"
                           yFract="0.75334123"
                           z3="4.07027"
                           zFract="0.18318047"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34702"
                           xFract="0.75201659"
                           y3="6.37245"
                           yFract="0.75502962"
                           z3="8.65384"
                           zFract="0.38946175"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0077"
                           xFract="0.23787915"
                           y3="2.10687"
                           yFract="0.24962915"
                           z3="10.00013"
                           zFract="0.45005086"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.31469"
                           xFract="0.74818602"
                           y3="2.06806"
                           yFract="0.24503081"
                           z3="6.35045"
                           zFract="0.28579883"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35739"
                           xFract="0.75324526"
                           y3="-0.0398"
                           yFract="-0.00471564"
                           z3="8.45101"
                           zFract="0.38033348"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.22087"
                           xFract="0.50010308"
                           y3="-0.00215"
                           yFract="-0.00025474"
                           z3="6.37596"
                           zFract="0.28694689"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01373"
                           xFract="0.00162678"
                           y3="0.02763"
                           yFract="0.0032737"
                           z3="6.41403"
                           zFract="0.28866022"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.23051"
                           xFract="0.50124526"
                           y3="2.07952"
                           yFract="0.24638863"
                           z3="8.4237"
                           zFract="0.37910441"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2422"
                           xFract="0.50263033"
                           y3="6.34901"
                           yFract="0.75225237"
                           z3="8.47311"
                           zFract="0.38132808"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23837"
                           xFract="0.50217654"
                           y3="4.22884"
                           yFract="0.50104739"
                           z3="6.34333"
                           zFract="0.2854784"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11815"
                           xFract="0.25096564"
                           y3="4.26643"
                           yFract="0.50550118"
                           z3="4.23162"
                           zFract="0.19044194"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24177"
                           xFract="0.50257938"
                           y3="2.10843"
                           yFract="0.24981398"
                           z3="4.2292"
                           zFract="0.19033303"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38644"
                           xFract="0.7566872"
                           y3="4.22826"
                           yFract="0.50097867"
                           z3="8.42109"
                           zFract="0.37898695"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.32447"
                           xFract="0.74934479"
                           y3="-0.01737"
                           yFract="-0.00205806"
                           z3="4.20877"
                           zFract="0.18941359"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13391"
                           xFract="0.25283294"
                           y3="-0.04473"
                           yFract="-0.00529976"
                           z3="8.63827"
                           zFract="0.38876103"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33702"
                           xFract="0.75083175"
                           y3="6.36399"
                           yFract="0.75402725"
                           z3="6.40772"
                           zFract="0.28837624"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1274"
                           xFract="0.25206161"
                           y3="6.37344"
                           yFract="0.75514692"
                           z3="6.38416"
                           zFract="0.28731593"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.12193"
                           xFract="-0.01444668"
                           y3="2.08915"
                           yFract="0.24752962"
                           z3="8.60893"
                           zFract="0.38744059"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.02685"
                           xFract="0.00318128"
                           y3="4.23531"
                           yFract="0.50181398"
                           z3="6.38208"
                           zFract="0.28722232"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20015"
                           xFract="0.4976481"
                           y3="6.33918"
                           yFract="0.75108768"
                           z3="4.32129"
                           zFract="0.1944775"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.33649"
                           xFract="0.75076896"
                           y3="4.23229"
                           yFract="0.50145616"
                           z3="4.23167"
                           zFract="0.19044419"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11251"
                           xFract="0.25029739"
                           y3="-0.03573"
                           yFract="-0.00423341"
                           z3="4.23847"
                           zFract="0.19075023"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04273"
                           xFract="-0.0050628"
                           y3="2.12029"
                           yFract="0.25121919"
                           z3="4.2484"
                           zFract="0.19119712"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.01287"
                           xFract="0.00152488"
                           y3="6.36451"
                           yFract="0.75408886"
                           z3="8.55563"
                           zFract="0.38504185"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.0684"
                           xFract="0.24507109"
                           y3="2.10768"
                           yFract="0.24972512"
                           z3="6.21706"
                           zFract="0.27979568"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0018"
                           xFract="0.00021327"
                           y3="6.31845"
                           yFract="0.74863152"
                           z3="4.29413"
                           zFract="0.19325518"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10655"
                           xFract="0.24959123"
                           y3="4.2985"
                           yFract="0.50930095"
                           z3="8.42123"
                           zFract="0.37899325"/>
                     <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="-0.04108"
                           xFract="-0.0048673"
                           y3="2.08754"
                           yFract="0.24733886"
                           z3="6.30052"
                           zFract="0.28355176"/>
                     <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="2.11152"
                           xFract="0.25018009"
                           y3="0.05187"
                           yFract="0.00614573"
                           z3="6.31971"
                           zFract="0.28441539"/>
                     <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="-0.02826"
                           xFract="-0.00334834"
                           y3="-0.01748"
                           yFract="-0.00207109"
                           z3="4.26494"
                           zFract="0.19194149"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04231"
                           xFract="-0.00501303"
                           y3="0.04372"
                           yFract="0.00518009"
                           z3="8.51013"
                           zFract="0.38299415"/>
                     <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="2.14784"
                           xFract="0.25448341"
                           y3="2.15008"
                           yFract="0.25474882"
                           z3="4.12559"
                           zFract="0.18567012"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25556"
                           xFract="0.26724645"
                           y3="1.96669"
                           yFract="0.23302014"
                           z3="9.06264"
                           zFract="0.40785959"/>
                     <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="4.19349"
                           xFract="0.496859"
                           y3="2.10626"
                           yFract="0.24955687"
                           z3="6.36631"
                           zFract="0.2865126"/>
                     <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="6.32876"
                           xFract="0.74985308"
                           y3="0.07505"
                           yFract="0.00889218"
                           z3="6.36025"
                           zFract="0.28623987"/>
                     <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="4.2487"
                           xFract="0.50340047"
                           y3="0.03089"
                           yFract="0.00365995"
                           z3="4.18991"
                           zFract="0.18856481"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28244"
                           xFract="0.5073981"
                           y3="-0.0081"
                           yFract="-0.00095972"
                           z3="8.45822"
                           zFract="0.38065797"/>
                     <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="6.28445"
                           xFract="0.74460308"
                           y3="2.07191"
                           yFract="0.24548697"
                           z3="4.26956"
                           zFract="0.19214941"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31259"
                           xFract="0.7479372"
                           y3="2.0706"
                           yFract="0.24533175"
                           z3="8.44398"
                           zFract="0.3800171"/>
                     <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="-0.11715"
                           xFract="-0.01388033"
                           y3="6.38075"
                           yFract="0.75601303"
                           z3="6.3888"
                           zFract="0.28752475"/>
                     <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="2.14826"
                           xFract="0.25453318"
                           y3="4.16407"
                           yFract="0.49337322"
                           z3="6.36196"
                           zFract="0.28631683"/>
                     <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="0.04451"
                           xFract="0.0052737"
                           y3="4.23685"
                           yFract="0.50199645"
                           z3="4.17251"
                           zFract="0.18778173"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05914"
                           xFract="0.00700711"
                           y3="4.14823"
                           yFract="0.49149645"
                           z3="8.59743"
                           zFract="0.38692304"/>
                     <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="2.12143"
                           xFract="0.25135427"
                           y3="6.31244"
                           yFract="0.74791943"
                           z3="4.25601"
                           zFract="0.1915396"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11523"
                           xFract="0.25061967"
                           y3="6.39802"
                           yFract="0.75805924"
                           z3="8.5771"
                           zFract="0.3860081"/>
                     <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="4.3433"
                           xFract="0.514609"
                           y3="6.33333"
                           yFract="0.75039455"
                           z3="6.4651"
                           zFract="0.2909586"/>
                     <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="6.33216"
                           xFract="0.75025592"
                           y3="4.14547"
                           yFract="0.49116943"
                           z3="6.37178"
                           zFract="0.28675878"/>
                     <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="4.19304"
                           xFract="0.49680569"
                           y3="4.17918"
                           yFract="0.49516351"
                           z3="4.27515"
                           zFract="0.19240099"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20399"
                           xFract="0.49810308"
                           y3="4.1956"
                           yFract="0.497109"
                           z3="8.46856"
                           zFract="0.38112331"/>
                     <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="6.31006"
                           xFract="0.74763744"
                           y3="6.35924"
                           yFract="0.75346445"
                           z3="4.06441"
                           zFract="0.18291674"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36853"
                           xFract="0.75456517"
                           y3="6.37806"
                           yFract="0.75569431"
                           z3="8.69111"
                           zFract="0.39113906"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.00618"
                           xFract="0.23769905"
                           y3="2.09953"
                           yFract="0.24875948"
                           z3="9.93083"
                           zFract="0.44693204"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32035"
                           xFract="0.74885664"
                           y3="2.07848"
                           yFract="0.2462654"
                           z3="6.35244"
                           zFract="0.28588839"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35109"
                           xFract="0.75249882"
                           y3="-0.02927"
                           yFract="-0.00346801"
                           z3="8.44464"
                           zFract="0.3800468"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21628"
                           xFract="0.49955924"
                           y3="-0.00472"
                           yFract="-0.00055924"
                           z3="6.36869"
                           zFract="0.28661971"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02064"
                           xFract="0.0024455"
                           y3="0.02737"
                           yFract="0.00324289"
                           z3="6.40269"
                           zFract="0.28814986"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25091"
                           xFract="0.50366232"
                           y3="2.07676"
                           yFract="0.24606161"
                           z3="8.40626"
                           zFract="0.37831953"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.23679"
                           xFract="0.50198934"
                           y3="6.35355"
                           yFract="0.75279028"
                           z3="8.46857"
                           zFract="0.38112376"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23906"
                           xFract="0.50225829"
                           y3="4.23155"
                           yFract="0.50136848"
                           z3="6.33651"
                           zFract="0.28517147"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12238"
                           xFract="0.25146682"
                           y3="4.26146"
                           yFract="0.50491232"
                           z3="4.21722"
                           zFract="0.18979388"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24349"
                           xFract="0.50278318"
                           y3="2.10882"
                           yFract="0.24986019"
                           z3="4.21903"
                           zFract="0.18987534"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38345"
                           xFract="0.75633294"
                           y3="4.22822"
                           yFract="0.50097393"
                           z3="8.41097"
                           zFract="0.3785315"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31866"
                           xFract="0.7486564"
                           y3="-0.01556"
                           yFract="-0.0018436"
                           z3="4.20731"
                           zFract="0.18934788"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12886"
                           xFract="0.2522346"
                           y3="-0.05467"
                           yFract="-0.00647749"
                           z3="8.61502"
                           zFract="0.38771467"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33451"
                           xFract="0.75053436"
                           y3="6.36028"
                           yFract="0.75358768"
                           z3="6.38753"
                           zFract="0.2874676"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12518"
                           xFract="0.25179858"
                           y3="6.37104"
                           yFract="0.75486256"
                           z3="6.3712"
                           zFract="0.28673267"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.12867"
                           xFract="-0.01524526"
                           y3="2.08952"
                           yFract="0.24757346"
                           z3="8.59696"
                           zFract="0.38690189"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01935"
                           xFract="0.00229265"
                           y3="4.2278"
                           yFract="0.50092417"
                           z3="6.3760"
                           zFract="0.28694869"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20327"
                           xFract="0.49801777"
                           y3="6.33588"
                           yFract="0.75069668"
                           z3="4.31567"
                           zFract="0.19422457"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32963"
                           xFract="0.74995616"
                           y3="4.23139"
                           yFract="0.50134953"
                           z3="4.22975"
                           zFract="0.19035779"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12026"
                           xFract="0.25121564"
                           y3="-0.03205"
                           yFract="-0.00379739"
                           z3="4.22702"
                           zFract="0.19023492"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04047"
                           xFract="-0.00479502"
                           y3="2.12044"
                           yFract="0.25123697"
                           z3="4.23674"
                           zFract="0.19067237"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.01143"
                           xFract="0.00135427"
                           y3="6.35678"
                           yFract="0.75317299"
                           z3="8.5387"
                           zFract="0.38427993"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06172"
                           xFract="0.24427962"
                           y3="2.10571"
                           yFract="0.24949171"
                           z3="6.19805"
                           zFract="0.27894014"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00269"
                           xFract="-0.00031872"
                           y3="6.31718"
                           yFract="0.74848104"
                           z3="4.28621"
                           zFract="0.19289874"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10472"
                           xFract="0.24937441"
                           y3="4.30653"
                           yFract="0.51025237"
                           z3="8.40823"
                           zFract="0.37840819"/>
                     <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="-0.03651"
                           xFract="-0.00432583"
                           y3="2.0839"
                           yFract="0.24690758"
                           z3="6.2928"
                           zFract="0.28320432"/>
                     <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="2.11677"
                           xFract="0.25080213"
                           y3="0.06758"
                           yFract="0.00800711"
                           z3="6.30758"
                           zFract="0.28386949"/>
                     <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="-0.03216"
                           xFract="-0.00381043"
                           y3="-0.01574"
                           yFract="-0.00186493"
                           z3="4.25808"
                           zFract="0.19163276"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03289"
                           xFract="-0.00389692"
                           y3="0.0381"
                           yFract="0.00451422"
                           z3="8.50022"
                           zFract="0.38254815"/>
                     <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="2.14863"
                           xFract="0.25457701"
                           y3="2.14726"
                           yFract="0.25441469"
                           z3="4.1251"
                           zFract="0.18564806"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2585"
                           xFract="0.26759479"
                           y3="1.99127"
                           yFract="0.23593246"
                           z3="8.98994"
                           zFract="0.40458776"/>
                     <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="4.20242"
                           xFract="0.49791706"
                           y3="2.10517"
                           yFract="0.24942773"
                           z3="6.35784"
                           zFract="0.28613141"/>
                     <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="6.32338"
                           xFract="0.74921564"
                           y3="0.08462"
                           yFract="0.01002607"
                           z3="6.3561"
                           zFract="0.28605311"/>
                     <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="4.25094"
                           xFract="0.50366588"
                           y3="0.02913"
                           yFract="0.00345142"
                           z3="4.18355"
                           zFract="0.18827858"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27745"
                           xFract="0.50680687"
                           y3="-0.00759"
                           yFract="-0.00089929"
                           z3="8.45484"
                           zFract="0.38050585"/>
                     <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="6.28943"
                           xFract="0.74519313"
                           y3="2.07115"
                           yFract="0.24539692"
                           z3="4.27363"
                           zFract="0.19233258"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29345"
                           xFract="0.74566943"
                           y3="2.06856"
                           yFract="0.24509005"
                           z3="8.4375"
                           zFract="0.37972547"/>
                     <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="-0.10138"
                           xFract="-0.01201185"
                           y3="6.38537"
                           yFract="0.75656043"
                           z3="6.37672"
                           zFract="0.2869811"/>
                     <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="2.15899"
                           xFract="0.2558045"
                           y3="4.14418"
                           yFract="0.49101659"
                           z3="6.34886"
                           zFract="0.28572727"/>
                     <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="0.04253"
                           xFract="0.0050391"
                           y3="4.2342"
                           yFract="0.50168246"
                           z3="4.18036"
                           zFract="0.18813501"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.04824"
                           xFract="0.00571564"
                           y3="4.16192"
                           yFract="0.49311848"
                           z3="8.58194"
                           zFract="0.38622592"/>
                     <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="2.11762"
                           xFract="0.25090284"
                           y3="6.31181"
                           yFract="0.74784479"
                           z3="4.24001"
                           zFract="0.19081953"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11719"
                           xFract="0.2508519"
                           y3="6.38778"
                           yFract="0.75684597"
                           z3="8.57751"
                           zFract="0.38602655"/>
                     <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="4.32658"
                           xFract="0.51262796"
                           y3="6.33569"
                           yFract="0.75067417"
                           z3="6.44947"
                           zFract="0.29025518"/>
                     <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="6.32102"
                           xFract="0.74893602"
                           y3="4.1297"
                           yFract="0.48930095"
                           z3="6.36892"
                           zFract="0.28663006"/>
                     <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="4.19217"
                           xFract="0.49670261"
                           y3="4.18286"
                           yFract="0.49559953"
                           z3="4.27177"
                           zFract="0.19224887"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22232"
                           xFract="0.50027488"
                           y3="4.20807"
                           yFract="0.49858649"
                           z3="8.46173"
                           zFract="0.38081593"/>
                     <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="6.3125"
                           xFract="0.74792654"
                           y3="6.35853"
                           yFract="0.75338033"
                           z3="4.06843"
                           zFract="0.18309766"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35378"
                           xFract="0.75281754"
                           y3="6.37421"
                           yFract="0.75523815"
                           z3="8.66556"
                           zFract="0.3899892"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a41" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01144"
                           xFract="0.23832227"
                           y3="2.0995"
                           yFract="0.24875592"
                           z3="9.94398"
                           zFract="0.44752385"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3228"
                           xFract="0.74914692"
                           y3="2.08219"
                           yFract="0.24670498"
                           z3="6.35474"
                           zFract="0.2859919"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35033"
                           xFract="0.75240877"
                           y3="-0.03018"
                           yFract="-0.00357583"
                           z3="8.44675"
                           zFract="0.38014176"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="-0.00603"
                           yFract="-0.00071445"
                           z3="6.37223"
                           zFract="0.28677903"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01989"
                           xFract="0.00235664"
                           y3="0.02732"
                           yFract="0.00323697"
                           z3="6.40549"
                           zFract="0.28827588"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25523"
                           xFract="0.50417417"
                           y3="2.07604"
                           yFract="0.2459763"
                           z3="8.41111"
                           zFract="0.3785378"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24127"
                           xFract="0.50252014"
                           y3="6.35461"
                           yFract="0.75291588"
                           z3="8.47189"
                           zFract="0.38127318"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23974"
                           xFract="0.50233886"
                           y3="4.23254"
                           yFract="0.50148578"
                           z3="6.3399"
                           zFract="0.28532403"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1223"
                           xFract="0.25145735"
                           y3="4.25896"
                           yFract="0.50461611"
                           z3="4.2182"
                           zFract="0.18983798"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23932"
                           xFract="0.5022891"
                           y3="2.1086"
                           yFract="0.24983412"
                           z3="4.2209"
                           zFract="0.1899595"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38577"
                           xFract="0.75660782"
                           y3="4.2279"
                           yFract="0.50093602"
                           z3="8.41397"
                           zFract="0.37866652"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31894"
                           xFract="0.74868957"
                           y3="-0.01623"
                           yFract="-0.00192299"
                           z3="4.20698"
                           zFract="0.18933303"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12914"
                           xFract="0.25226777"
                           y3="-0.05196"
                           yFract="-0.0061564"
                           z3="8.62546"
                           zFract="0.38818452"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33503"
                           xFract="0.75059597"
                           y3="6.35882"
                           yFract="0.75341469"
                           z3="6.39377"
                           zFract="0.28774842"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12582"
                           xFract="0.25187441"
                           y3="6.37092"
                           yFract="0.75484834"
                           z3="6.37459"
                           zFract="0.28688524"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.12354"
                           xFract="-0.01463744"
                           y3="2.08928"
                           yFract="0.24754502"
                           z3="8.60187"
                           zFract="0.38712286"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01982"
                           xFract="0.00234834"
                           y3="4.2289"
                           yFract="0.5010545"
                           z3="6.37818"
                           zFract="0.2870468"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20461"
                           xFract="0.49817654"
                           y3="6.33658"
                           yFract="0.75077962"
                           z3="4.3164"
                           zFract="0.19425743"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32954"
                           xFract="0.7499455"
                           y3="4.23254"
                           yFract="0.50148578"
                           z3="4.23138"
                           zFract="0.19043114"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11957"
                           xFract="0.25113389"
                           y3="-0.02981"
                           yFract="-0.00353199"
                           z3="4.23042"
                           zFract="0.19038794"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03818"
                           xFract="-0.0045237"
                           y3="2.1213"
                           yFract="0.25133886"
                           z3="4.23841"
                           zFract="0.19074752"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00838"
                           xFract="0.00099289"
                           y3="6.35835"
                           yFract="0.753359"
                           z3="8.54201"
                           zFract="0.38442889"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06157"
                           xFract="0.24426185"
                           y3="2.10351"
                           yFract="0.24923104"
                           z3="6.19898"
                           zFract="0.278982"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00302"
                           xFract="-0.00035782"
                           y3="6.31814"
                           yFract="0.74859479"
                           z3="4.28799"
                           zFract="0.19297885"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10404"
                           xFract="0.24929384"
                           y3="4.30544"
                           yFract="0.51012322"
                           z3="8.41481"
                           zFract="0.37870432"/>
                     <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="-0.03313"
                           xFract="-0.00392536"
                           y3="2.0822"
                           yFract="0.24670616"
                           z3="6.29482"
                           zFract="0.28329523"/>
                     <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="2.11683"
                           xFract="0.25080924"
                           y3="0.06766"
                           yFract="0.00801659"
                           z3="6.31254"
                           zFract="0.28409271"/>
                     <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="-0.0334"
                           xFract="-0.00395735"
                           y3="-0.01594"
                           yFract="-0.00188863"
                           z3="4.26102"
                           zFract="0.19176508"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03558"
                           xFract="-0.00421564"
                           y3="0.03781"
                           yFract="0.00447986"
                           z3="8.5042"
                           zFract="0.38272727"/>
                     <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="2.14858"
                           xFract="0.25457109"
                           y3="2.14777"
                           yFract="0.25447512"
                           z3="4.13159"
                           zFract="0.18594014"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2556"
                           xFract="0.26725118"
                           y3="1.98721"
                           yFract="0.23545142"
                           z3="9.01911"
                           zFract="0.40590054"/>
                     <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="4.19841"
                           xFract="0.49744194"
                           y3="2.10397"
                           yFract="0.24928555"
                           z3="6.36049"
                           zFract="0.28625068"/>
                     <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="6.3220"
                           xFract="0.74905213"
                           y3="0.08316"
                           yFract="0.00985308"
                           z3="6.35927"
                           zFract="0.28619577"/>
                     <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="4.25057"
                           xFract="0.50362204"
                           y3="0.02991"
                           yFract="0.00354384"
                           z3="4.18749"
                           zFract="0.1884559"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28066"
                           xFract="0.5071872"
                           y3="-0.00869"
                           yFract="-0.00102962"
                           z3="8.45821"
                           zFract="0.38065752"/>
                     <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="6.28856"
                           xFract="0.74509005"
                           y3="2.07057"
                           yFract="0.2453282"
                           z3="4.27703"
                           zFract="0.1924856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28892"
                           xFract="0.7451327"
                           y3="2.06933"
                           yFract="0.24518128"
                           z3="8.44008"
                           zFract="0.37984158"/>
                     <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="-0.10415"
                           xFract="-0.01234005"
                           y3="6.38579"
                           yFract="0.75661019"
                           z3="6.38268"
                           zFract="0.28724932"/>
                     <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="2.15631"
                           xFract="0.25548697"
                           y3="4.14764"
                           yFract="0.49142654"
                           z3="6.35044"
                           zFract="0.28579838"/>
                     <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="0.04172"
                           xFract="0.00494313"
                           y3="4.23468"
                           yFract="0.50173934"
                           z3="4.17547"
                           zFract="0.18791494"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05275"
                           xFract="0.00625"
                           y3="4.16008"
                           yFract="0.49290047"
                           z3="8.59264"
                           zFract="0.38670747"/>
                     <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="2.11913"
                           xFract="0.25108175"
                           y3="6.31272"
                           yFract="0.74795261"
                           z3="4.24551"
                           zFract="0.19106706"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11654"
                           xFract="0.25077488"
                           y3="6.38936"
                           yFract="0.75703318"
                           z3="8.57814"
                           zFract="0.38605491"/>
                     <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="4.33125"
                           xFract="0.51318128"
                           y3="6.3349"
                           yFract="0.75058057"
                           z3="6.45201"
                           zFract="0.29036949"/>
                     <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="6.32021"
                           xFract="0.74884005"
                           y3="4.13232"
                           yFract="0.48961137"
                           z3="6.3702"
                           zFract="0.28668767"/>
                     <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="4.19348"
                           xFract="0.49685782"
                           y3="4.18283"
                           yFract="0.49559597"
                           z3="4.27656"
                           zFract="0.19246445"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21907"
                           xFract="0.49988981"
                           y3="4.20593"
                           yFract="0.49833294"
                           z3="8.46902"
                           zFract="0.38114401"/>
                     <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="6.31145"
                           xFract="0.74780213"
                           y3="6.35784"
                           yFract="0.75329858"
                           z3="4.06569"
                           zFract="0.18297435"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35662"
                           xFract="0.75315403"
                           y3="6.37098"
                           yFract="0.75485545"
                           z3="8.67512"
                           zFract="0.39041944"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01449"
                           xFract="0.23868365"
                           y3="2.09948"
                           yFract="0.24875355"
                           z3="9.95161"
                           zFract="0.44786724"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32423"
                           xFract="0.74931635"
                           y3="2.08435"
                           yFract="0.2469609"
                           z3="6.35607"
                           zFract="0.28605176"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34989"
                           xFract="0.75235664"
                           y3="-0.03071"
                           yFract="-0.00363863"
                           z3="8.44797"
                           zFract="0.38019667"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21453"
                           xFract="0.4993519"
                           y3="-0.0068"
                           yFract="-0.00080569"
                           z3="6.37429"
                           zFract="0.28687174"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01945"
                           xFract="0.0023045"
                           y3="0.02729"
                           yFract="0.00323341"
                           z3="6.40712"
                           zFract="0.28834923"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25774"
                           xFract="0.50447156"
                           y3="2.07562"
                           yFract="0.24592654"
                           z3="8.41392"
                           zFract="0.37866427"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24386"
                           xFract="0.50282701"
                           y3="6.35522"
                           yFract="0.75298815"
                           z3="8.47381"
                           zFract="0.38135959"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24014"
                           xFract="0.50238626"
                           y3="4.23311"
                           yFract="0.50155332"
                           z3="6.34187"
                           zFract="0.28541269"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12225"
                           xFract="0.25145142"
                           y3="4.25751"
                           yFract="0.50444431"
                           z3="4.21877"
                           zFract="0.18986364"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2369"
                           xFract="0.50200237"
                           y3="2.10847"
                           yFract="0.24981872"
                           z3="4.22199"
                           zFract="0.19000855"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38711"
                           xFract="0.75676659"
                           y3="4.22772"
                           yFract="0.50091469"
                           z3="8.41571"
                           zFract="0.37874482"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31909"
                           xFract="0.74870735"
                           y3="-0.01662"
                           yFract="-0.00196919"
                           z3="4.20679"
                           zFract="0.18932448"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1293"
                           xFract="0.25228673"
                           y3="-0.05039"
                           yFract="-0.00597038"
                           z3="8.63152"
                           zFract="0.38845725"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33533"
                           xFract="0.75063152"
                           y3="6.35797"
                           yFract="0.75331398"
                           z3="6.39738"
                           zFract="0.28791089"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12619"
                           xFract="0.25191825"
                           y3="6.37086"
                           yFract="0.75484123"
                           z3="6.37656"
                           zFract="0.2869739"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.12056"
                           xFract="-0.01428436"
                           y3="2.08914"
                           yFract="0.24752844"
                           z3="8.60472"
                           zFract="0.38725113"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.02009"
                           xFract="0.00238033"
                           y3="4.22954"
                           yFract="0.50113033"
                           z3="6.37944"
                           zFract="0.28710351"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20538"
                           xFract="0.49826777"
                           y3="6.33698"
                           yFract="0.75082701"
                           z3="4.31682"
                           zFract="0.19427633"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32949"
                           xFract="0.74993957"
                           y3="4.23321"
                           yFract="0.50156517"
                           z3="4.23232"
                           zFract="0.19047345"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11918"
                           xFract="0.25108768"
                           y3="-0.02851"
                           yFract="-0.00337796"
                           z3="4.2324"
                           zFract="0.19047705"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03685"
                           xFract="-0.00436611"
                           y3="2.1218"
                           yFract="0.2513981"
                           z3="4.23939"
                           zFract="0.19079163"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.0066"
                           xFract="0.00078199"
                           y3="6.35926"
                           yFract="0.75346682"
                           z3="8.54393"
                           zFract="0.3845153"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06149"
                           xFract="0.24425237"
                           y3="2.10223"
                           yFract="0.24907938"
                           z3="6.19952"
                           zFract="0.2790063"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00322"
                           xFract="-0.00038152"
                           y3="6.3187"
                           yFract="0.74866114"
                           z3="4.28903"
                           zFract="0.19302565"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10365"
                           xFract="0.24924763"
                           y3="4.3048"
                           yFract="0.51004739"
                           z3="8.41863"
                           zFract="0.37887624"/>
                     <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="-0.03117"
                           xFract="-0.00369313"
                           y3="2.08122"
                           yFract="0.24659005"
                           z3="6.29599"
                           zFract="0.28334788"/>
                     <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="2.11687"
                           xFract="0.25081398"
                           y3="0.0677"
                           yFract="0.00802133"
                           z3="6.31542"
                           zFract="0.28422232"/>
                     <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="-0.03412"
                           xFract="-0.00404265"
                           y3="-0.01606"
                           yFract="-0.00190284"
                           z3="4.26272"
                           zFract="0.19184158"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03714"
                           xFract="-0.00440047"
                           y3="0.03764"
                           yFract="0.00445972"
                           z3="8.5065"
                           zFract="0.38283078"/>
                     <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="2.14856"
                           xFract="0.25456872"
                           y3="2.14806"
                           yFract="0.25450948"
                           z3="4.13537"
                           zFract="0.18611026"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25391"
                           xFract="0.26705095"
                           y3="1.98484"
                           yFract="0.23517062"
                           z3="9.03605"
                           zFract="0.40666292"/>
                     <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="4.19608"
                           xFract="0.49716588"
                           y3="2.10328"
                           yFract="0.24920379"
                           z3="6.36203"
                           zFract="0.28631998"/>
                     <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="6.32119"
                           xFract="0.74895616"
                           y3="0.08231"
                           yFract="0.00975237"
                           z3="6.36111"
                           zFract="0.28627858"/>
                     <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="4.25035"
                           xFract="0.50359597"
                           y3="0.03036"
                           yFract="0.00359716"
                           z3="4.18977"
                           zFract="0.18855851"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28252"
                           xFract="0.50740758"
                           y3="-0.00933"
                           yFract="-0.00110545"
                           z3="8.46016"
                           zFract="0.38074527"/>
                     <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="6.28806"
                           xFract="0.74503081"
                           y3="2.07023"
                           yFract="0.24528791"
                           z3="4.2790"
                           zFract="0.19257426"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2863"
                           xFract="0.74482227"
                           y3="2.06978"
                           yFract="0.2452346"
                           z3="8.44158"
                           zFract="0.37990909"/>
                     <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="-0.10576"
                           xFract="-0.01253081"
                           y3="6.38603"
                           yFract="0.75663863"
                           z3="6.38614"
                           zFract="0.28740504"/>
                     <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="2.15475"
                           xFract="0.25530213"
                           y3="4.14965"
                           yFract="0.49166469"
                           z3="6.35136"
                           zFract="0.28583978"/>
                     <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="0.04125"
                           xFract="0.00488744"
                           y3="4.23496"
                           yFract="0.50177251"
                           z3="4.17262"
                           zFract="0.18778668"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05537"
                           xFract="0.00656043"
                           y3="4.15901"
                           yFract="0.4927737"
                           z3="8.59885"
                           zFract="0.38698695"/>
                     <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="2.1200"
                           xFract="0.25118483"
                           y3="6.31325"
                           yFract="0.7480154"
                           z3="4.24871"
                           zFract="0.19121107"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11616"
                           xFract="0.25072986"
                           y3="6.39028"
                           yFract="0.75714218"
                           z3="8.5785"
                           zFract="0.38607111"/>
                     <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="4.33396"
                           xFract="0.51350237"
                           y3="6.33445"
                           yFract="0.75052725"
                           z3="6.45348"
                           zFract="0.29043564"/>
                     <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="6.31973"
                           xFract="0.74878318"
                           y3="4.13384"
                           yFract="0.48979147"
                           z3="6.37095"
                           zFract="0.28672142"/>
                     <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="4.19424"
                           xFract="0.49694787"
                           y3="4.18282"
                           yFract="0.49559479"
                           z3="4.27935"
                           zFract="0.19259001"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21719"
                           xFract="0.49966706"
                           y3="4.2047"
                           yFract="0.4981872"
                           z3="8.47324"
                           zFract="0.38133393"/>
                     <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="6.31085"
                           xFract="0.74773104"
                           y3="6.35743"
                           yFract="0.75325"
                           z3="4.0641"
                           zFract="0.18290279"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35826"
                           xFract="0.75334834"
                           y3="6.36911"
                           yFract="0.75463389"
                           z3="8.68067"
                           zFract="0.39066922"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01559"
                           xFract="0.23881398"
                           y3="2.09975"
                           yFract="0.24878555"
                           z3="9.95945"
                           zFract="0.44822007"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3252"
                           xFract="0.74943128"
                           y3="2.08583"
                           yFract="0.24713626"
                           z3="6.35705"
                           zFract="0.28609586"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3495"
                           xFract="0.75231043"
                           y3="-0.0308"
                           yFract="-0.00364929"
                           z3="8.44873"
                           zFract="0.38023087"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21404"
                           xFract="0.49929384"
                           y3="-0.00731"
                           yFract="-0.00086611"
                           z3="6.37554"
                           zFract="0.28692799"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0193"
                           xFract="0.00228673"
                           y3="0.02724"
                           yFract="0.00322749"
                           z3="6.40806"
                           zFract="0.28839154"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25954"
                           xFract="0.50468483"
                           y3="2.07526"
                           yFract="0.24588389"
                           z3="8.41556"
                           zFract="0.37873807"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.24542"
                           xFract="0.50301185"
                           y3="6.35569"
                           yFract="0.75304384"
                           z3="8.4751"
                           zFract="0.38141764"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24029"
                           xFract="0.50240403"
                           y3="4.23352"
                           yFract="0.5016019"
                           z3="6.34314"
                           zFract="0.28546985"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12232"
                           xFract="0.25145972"
                           y3="4.25657"
                           yFract="0.50433294"
                           z3="4.21886"
                           zFract="0.18986769"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23552"
                           xFract="0.50183886"
                           y3="2.1084"
                           yFract="0.24981043"
                           z3="4.22255"
                           zFract="0.19003375"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.38802"
                           xFract="0.75687441"
                           y3="4.22752"
                           yFract="0.500891"
                           z3="8.41679"
                           zFract="0.37879343"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3190"
                           xFract="0.74869668"
                           y3="-0.01677"
                           yFract="-0.00198697"
                           z3="4.20673"
                           zFract="0.18932178"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12927"
                           xFract="0.25228318"
                           y3="-0.04959"
                           yFract="-0.00587559"
                           z3="8.63528"
                           zFract="0.38862646"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33548"
                           xFract="0.75064929"
                           y3="6.35736"
                           yFract="0.75324171"
                           z3="6.39936"
                           zFract="0.2880"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1264"
                           xFract="0.25194313"
                           y3="6.37076"
                           yFract="0.75482938"
                           z3="6.37768"
                           zFract="0.2870243"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.11873"
                           xFract="-0.01406754"
                           y3="2.08905"
                           yFract="0.24751777"
                           z3="8.60645"
                           zFract="0.38732898"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0201"
                           xFract="0.00238152"
                           y3="4.22977"
                           yFract="0.50115758"
                           z3="6.38021"
                           zFract="0.28713816"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="6.33717"
                           yFract="0.75084953"
                           z3="4.31698"
                           zFract="0.19428353"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32929"
                           xFract="0.74991588"
                           y3="4.23358"
                           yFract="0.501609"
                           z3="4.23289"
                           zFract="0.1904991"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11911"
                           xFract="0.25107938"
                           y3="-0.02765"
                           yFract="-0.00327607"
                           z3="4.23349"
                           zFract="0.1905261"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03605"
                           xFract="-0.00427133"
                           y3="2.12218"
                           yFract="0.25144313"
                           z3="4.23977"
                           zFract="0.19080873"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00548"
                           xFract="0.00064929"
                           y3="6.35964"
                           yFract="0.75351185"
                           z3="8.54495"
                           zFract="0.38456121"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06133"
                           xFract="0.24423341"
                           y3="2.10146"
                           yFract="0.24898815"
                           z3="6.19967"
                           zFract="0.27901305"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00343"
                           xFract="-0.0004064"
                           y3="6.31898"
                           yFract="0.74869431"
                           z3="4.28963"
                           zFract="0.19305266"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10337"
                           xFract="0.24921445"
                           y3="4.30457"
                           yFract="0.51002014"
                           z3="8.42102"
                           zFract="0.3789838"/>
                     <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="-0.02973"
                           xFract="-0.00352251"
                           y3="2.08057"
                           yFract="0.24651303"
                           z3="6.29668"
                           zFract="0.28337894"/>
                     <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="2.11699"
                           xFract="0.2508282"
                           y3="0.06796"
                           yFract="0.00805213"
                           z3="6.31717"
                           zFract="0.28430108"/>
                     <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="-0.03465"
                           xFract="-0.00410545"
                           y3="-0.01611"
                           yFract="-0.00190877"
                           z3="4.26372"
                           zFract="0.19188659"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.03806"
                           xFract="-0.00450948"
                           y3="0.03748"
                           yFract="0.00444076"
                           z3="8.50788"
                           zFract="0.38289289"/>
                     <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="2.14853"
                           xFract="0.25456517"
                           y3="2.14818"
                           yFract="0.2545237"
                           z3="4.13759"
                           zFract="0.18621017"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2541"
                           xFract="0.26707346"
                           y3="1.98323"
                           yFract="0.23497986"
                           z3="9.04196"
                           zFract="0.40692889"/>
                     <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="4.19469"
                           xFract="0.49700118"
                           y3="2.10284"
                           yFract="0.24915166"
                           z3="6.36303"
                           zFract="0.28636499"/>
                     <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="6.32055"
                           xFract="0.74888033"
                           y3="0.08202"
                           yFract="0.00971801"
                           z3="6.36231"
                           zFract="0.28633258"/>
                     <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="4.25021"
                           xFract="0.50357938"
                           y3="0.03056"
                           yFract="0.00362085"
                           z3="4.19114"
                           zFract="0.18862016"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28365"
                           xFract="0.50754147"
                           y3="-0.00975"
                           yFract="-0.00115521"
                           z3="8.46149"
                           zFract="0.38080513"/>
                     <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="6.28788"
                           xFract="0.74500948"
                           y3="2.07002"
                           yFract="0.24526303"
                           z3="4.28049"
                           zFract="0.19264131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2844"
                           xFract="0.74459716"
                           y3="2.07007"
                           yFract="0.24526896"
                           z3="8.44245"
                           zFract="0.37994824"/>
                     <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="-0.10652"
                           xFract="-0.01262085"
                           y3="6.38627"
                           yFract="0.75666706"
                           z3="6.38817"
                           zFract="0.2874964"/>
                     <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="2.15388"
                           xFract="0.25519905"
                           y3="4.15052"
                           yFract="0.49176777"
                           z3="6.35177"
                           zFract="0.28585824"/>
                     <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="0.0409"
                           xFract="0.00484597"
                           y3="4.23512"
                           yFract="0.50179147"
                           z3="4.17089"
                           zFract="0.18770882"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.05683"
                           xFract="0.00673341"
                           y3="4.15856"
                           yFract="0.49272038"
                           z3="8.60286"
                           zFract="0.38716742"/>
                     <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="2.1205"
                           xFract="0.25124408"
                           y3="6.31358"
                           yFract="0.7480545"
                           z3="4.25056"
                           zFract="0.19129433"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11598"
                           xFract="0.25070853"
                           y3="6.39077"
                           yFract="0.75720024"
                           z3="8.57871"
                           zFract="0.38608056"/>
                     <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="4.33545"
                           xFract="0.51367891"
                           y3="6.33415"
                           yFract="0.75049171"
                           z3="6.45426"
                           zFract="0.29047075"/>
                     <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="6.31932"
                           xFract="0.7487346"
                           y3="4.13453"
                           yFract="0.48987322"
                           z3="6.37155"
                           zFract="0.28674842"/>
                     <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="4.19466"
                           xFract="0.49699763"
                           y3="4.18292"
                           yFract="0.49560664"
                           z3="4.28116"
                           zFract="0.19267147"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21635"
                           xFract="0.49956754"
                           y3="4.20421"
                           yFract="0.49812915"
                           z3="8.4759"
                           zFract="0.38145365"/>
                     <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="6.3105"
                           xFract="0.74768957"
                           y3="6.35718"
                           yFract="0.75322038"
                           z3="4.06308"
                           zFract="0.18285689"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35896"
                           xFract="0.75343128"
                           y3="6.36773"
                           yFract="0.75447038"
                           z3="8.68396"
                           zFract="0.39081728"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.01891"
                           xFract="0.23920735"
                           y3="2.10055"
                           yFract="0.24888033"
                           z3="9.98295"
                           zFract="0.44927768"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32813"
                           xFract="0.74977844"
                           y3="2.09029"
                           yFract="0.24766469"
                           z3="6.3600"
                           zFract="0.28622862"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34831"
                           xFract="0.75216943"
                           y3="-0.03104"
                           yFract="-0.00367773"
                           z3="8.45099"
                           zFract="0.38033258"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21256"
                           xFract="0.49911848"
                           y3="-0.00886"
                           yFract="-0.00104976"
                           z3="6.37929"
                           zFract="0.28709676"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01885"
                           xFract="0.00223341"
                           y3="0.02708"
                           yFract="0.00320853"
                           z3="6.41089"
                           zFract="0.2885189"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26495"
                           xFract="0.50532583"
                           y3="2.07419"
                           yFract="0.24575711"
                           z3="8.42047"
                           zFract="0.37895905"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25009"
                           xFract="0.50356517"
                           y3="6.35708"
                           yFract="0.75320853"
                           z3="8.47898"
                           zFract="0.38159226"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24073"
                           xFract="0.50245616"
                           y3="4.23474"
                           yFract="0.50174645"
                           z3="6.34695"
                           zFract="0.28564131"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12253"
                           xFract="0.2514846"
                           y3="4.25377"
                           yFract="0.50400118"
                           z3="4.21912"
                           zFract="0.18987939"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23137"
                           xFract="0.50134716"
                           y3="2.10819"
                           yFract="0.24978555"
                           z3="4.22425"
                           zFract="0.19011026"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.39076"
                           xFract="0.75719905"
                           y3="4.22694"
                           yFract="0.50082227"
                           z3="8.42003"
                           zFract="0.37893924"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31872"
                           xFract="0.74866351"
                           y3="-0.01723"
                           yFract="-0.00204147"
                           z3="4.20654"
                           zFract="0.18931323"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12916"
                           xFract="0.25227014"
                           y3="-0.04718"
                           yFract="-0.00559005"
                           z3="8.64654"
                           zFract="0.38913321"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33595"
                           xFract="0.75070498"
                           y3="6.35553"
                           yFract="0.75302488"
                           z3="6.40529"
                           zFract="0.28826688"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12703"
                           xFract="0.25201777"
                           y3="6.37045"
                           yFract="0.75479265"
                           z3="6.38103"
                           zFract="0.28717507"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.11325"
                           xFract="-0.01341825"
                           y3="2.08878"
                           yFract="0.24748578"
                           z3="8.61161"
                           zFract="0.38756121"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.02015"
                           xFract="0.00238744"
                           y3="4.23048"
                           yFract="0.50124171"
                           z3="6.38253"
                           zFract="0.28724257"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.20769"
                           xFract="0.49854147"
                           y3="6.33774"
                           yFract="0.75091706"
                           z3="4.31748"
                           zFract="0.19430603"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32868"
                           xFract="0.7498436"
                           y3="4.23467"
                           yFract="0.50173815"
                           z3="4.23459"
                           zFract="0.19057561"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1189"
                           xFract="0.2510545"
                           y3="-0.02505"
                           yFract="-0.00296801"
                           z3="4.23676"
                           zFract="0.19067327"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03362"
                           xFract="-0.00398341"
                           y3="2.12332"
                           yFract="0.2515782"
                           z3="4.24092"
                           zFract="0.19086049"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="0.00212"
                           xFract="0.00025118"
                           y3="6.36079"
                           yFract="0.7536481"
                           z3="8.54802"
                           zFract="0.38469937"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06085"
                           xFract="0.24417654"
                           y3="2.09914"
                           yFract="0.24871327"
                           z3="6.20014"
                           zFract="0.2790342"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00405"
                           xFract="-0.00047986"
                           y3="6.31984"
                           yFract="0.74879621"
                           z3="4.29142"
                           zFract="0.19313321"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10251"
                           xFract="0.24911256"
                           y3="4.30388"
                           yFract="0.50993839"
                           z3="8.42817"
                           zFract="0.37930558"/>
                     <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="-0.0254"
                           xFract="-0.00300948"
                           y3="2.07864"
                           yFract="0.24628436"
                           z3="6.29874"
                           zFract="0.28347165"/>
                     <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="2.11735"
                           xFract="0.25087085"
                           y3="0.06875"
                           yFract="0.00814573"
                           z3="6.32244"
                           zFract="0.28453825"/>
                     <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="-0.03624"
                           xFract="-0.00429384"
                           y3="-0.01628"
                           yFract="-0.00192891"
                           z3="4.26673"
                           zFract="0.19202205"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04081"
                           xFract="-0.00483531"
                           y3="0.03698"
                           yFract="0.00438152"
                           z3="8.5120"
                           zFract="0.38307831"/>
                     <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="2.14845"
                           xFract="0.25455569"
                           y3="2.14855"
                           yFract="0.25456754"
                           z3="4.14428"
                           zFract="0.18651125"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25465"
                           xFract="0.26713863"
                           y3="1.97838"
                           yFract="0.23440521"
                           z3="9.0597"
                           zFract="0.40772727"/>
                     <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="4.19052"
                           xFract="0.49650711"
                           y3="2.10152"
                           yFract="0.24899526"
                           z3="6.36604"
                           zFract="0.28650045"/>
                     <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="6.31861"
                           xFract="0.74865047"
                           y3="0.08118"
                           yFract="0.00961848"
                           z3="6.36591"
                           zFract="0.2864946"/>
                     <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="4.2498"
                           xFract="0.50353081"
                           y3="0.03116"
                           yFract="0.00369194"
                           z3="4.19526"
                           zFract="0.18880558"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28703"
                           xFract="0.50794194"
                           y3="-0.01101"
                           yFract="-0.0013045"
                           z3="8.46547"
                           zFract="0.38098425"/>
                     <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="6.28733"
                           xFract="0.74494431"
                           y3="2.0694"
                           yFract="0.24518957"
                           z3="4.28497"
                           zFract="0.19284293"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27873"
                           xFract="0.74392536"
                           y3="2.07095"
                           yFract="0.24537322"
                           z3="8.44503"
                           zFract="0.38006436"/>
                     <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="-0.10879"
                           xFract="-0.01288981"
                           y3="6.3870"
                           yFract="0.75675355"
                           z3="6.39425"
                           zFract="0.28777003"/>
                     <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="2.15127"
                           xFract="0.25488981"
                           y3="4.15312"
                           yFract="0.49207583"
                           z3="6.35302"
                           zFract="0.28591449"/>
                     <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="0.03986"
                           xFract="0.00472275"
                           y3="4.23559"
                           yFract="0.50184716"
                           z3="4.1657"
                           zFract="0.18747525"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06121"
                           xFract="0.00725237"
                           y3="4.15718"
                           yFract="0.49255687"
                           z3="8.6149"
                           zFract="0.38770927"/>
                     <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="2.12198"
                           xFract="0.25141943"
                           y3="6.31457"
                           yFract="0.7481718"
                           z3="4.25612"
                           zFract="0.19154455"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11543"
                           xFract="0.25064336"
                           y3="6.39226"
                           yFract="0.75737678"
                           z3="8.57933"
                           zFract="0.38610846"/>
                     <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="4.33993"
                           xFract="0.51420972"
                           y3="6.33327"
                           yFract="0.75038744"
                           z3="6.45658"
                           zFract="0.29057516"/>
                     <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="6.31808"
                           xFract="0.74858768"
                           y3="4.13659"
                           yFract="0.4901173"
                           z3="6.37334"
                           zFract="0.28682898"/>
                     <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="4.19595"
                           xFract="0.49715047"
                           y3="4.18321"
                           yFract="0.495641"
                           z3="4.28659"
                           zFract="0.19291584"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21386"
                           xFract="0.49927251"
                           y3="4.20275"
                           yFract="0.49795616"
                           z3="8.48389"
                           zFract="0.38181323"/>
                     <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="6.30944"
                           xFract="0.74756398"
                           y3="6.3564"
                           yFract="0.75312796"
                           z3="4.06003"
                           zFract="0.18271962"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36105"
                           xFract="0.75367891"
                           y3="6.36357"
                           yFract="0.75397749"
                           z3="8.69383"
                           zFract="0.39126148"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a48" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a77" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a60" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02553"
                           xFract="0.23999171"
                           y3="2.10215"
                           yFract="0.24906991"
                           z3="10.02995"
                           zFract="0.45139289"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33398"
                           xFract="0.75047156"
                           y3="2.09921"
                           yFract="0.24872156"
                           z3="6.36589"
                           zFract="0.2864937"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34592"
                           xFract="0.75188626"
                           y3="-0.03153"
                           yFract="-0.00373578"
                           z3="8.45553"
                           zFract="0.3805369"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2096"
                           xFract="0.49876777"
                           y3="-0.01195"
                           yFract="-0.00141588"
                           z3="6.3868"
                           zFract="0.28743474"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01796"
                           xFract="0.00212796"
                           y3="0.02677"
                           yFract="0.0031718"
                           z3="6.41654"
                           zFract="0.28877318"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27577"
                           xFract="0.50660782"
                           y3="2.07204"
                           yFract="0.24550237"
                           z3="8.43028"
                           zFract="0.37940054"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25942"
                           xFract="0.50467062"
                           y3="6.35987"
                           yFract="0.7535391"
                           z3="8.48675"
                           zFract="0.38194194"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24163"
                           xFract="0.5025628"
                           y3="4.23717"
                           yFract="0.50203436"
                           z3="6.35457"
                           zFract="0.28598425"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12296"
                           xFract="0.25153555"
                           y3="4.24817"
                           yFract="0.50333768"
                           z3="4.21966"
                           zFract="0.18990369"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22307"
                           xFract="0.50036374"
                           y3="2.10778"
                           yFract="0.24973697"
                           z3="4.22764"
                           zFract="0.19026283"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.39623"
                           xFract="0.75784716"
                           y3="4.22577"
                           yFract="0.50068365"
                           z3="8.42651"
                           zFract="0.37923087"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31816"
                           xFract="0.74859716"
                           y3="-0.01814"
                           yFract="-0.00214929"
                           z3="4.20617"
                           zFract="0.18929658"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12893"
                           xFract="0.25224289"
                           y3="-0.04236"
                           yFract="-0.00501896"
                           z3="8.66906"
                           zFract="0.39014671"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33689"
                           xFract="0.75081635"
                           y3="6.35186"
                           yFract="0.75259005"
                           z3="6.41715"
                           zFract="0.28880063"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12831"
                           xFract="0.25216943"
                           y3="6.36985"
                           yFract="0.75472156"
                           z3="6.38774"
                           zFract="0.28747705"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10228"
                           xFract="-0.01211848"
                           y3="2.08824"
                           yFract="0.2474218"
                           z3="8.62195"
                           zFract="0.38802655"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.02026"
                           xFract="0.00240047"
                           y3="4.23189"
                           yFract="0.50140877"
                           z3="6.38715"
                           zFract="0.2874505"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21116"
                           xFract="0.49895261"
                           y3="6.33888"
                           yFract="0.75105213"
                           z3="4.31848"
                           zFract="0.19435104"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32746"
                           xFract="0.74969905"
                           y3="4.23685"
                           yFract="0.50199645"
                           z3="4.23799"
                           zFract="0.19072862"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11848"
                           xFract="0.25100474"
                           y3="-0.01986"
                           yFract="-0.00235308"
                           z3="4.24329"
                           zFract="0.19096715"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02878"
                           xFract="-0.00340995"
                           y3="2.12561"
                           yFract="0.25184953"
                           z3="4.24322"
                           zFract="0.190964"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00461"
                           xFract="-0.00054621"
                           y3="6.36309"
                           yFract="0.75392062"
                           z3="8.55416"
                           zFract="0.3849757"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.05989"
                           xFract="0.2440628"
                           y3="2.09451"
                           yFract="0.24816469"
                           z3="6.20107"
                           zFract="0.27907606"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00531"
                           xFract="-0.00062915"
                           y3="6.32156"
                           yFract="0.7490"
                           z3="4.29502"
                           zFract="0.19329523"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1008"
                           xFract="0.24890995"
                           y3="4.30249"
                           yFract="0.5097737"
                           z3="8.44247"
                           zFract="0.37994914"/>
                     <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="-0.01673"
                           xFract="-0.00198223"
                           y3="2.07477"
                           yFract="0.24582583"
                           z3="6.30287"
                           zFract="0.28365752"/>
                     <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="2.11808"
                           xFract="0.25095735"
                           y3="0.07033"
                           yFract="0.00833294"
                           z3="6.33297"
                           zFract="0.28501215"/>
                     <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="-0.03941"
                           xFract="-0.00466943"
                           y3="-0.01663"
                           yFract="-0.00197038"
                           z3="4.27275"
                           zFract="0.19229298"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04632"
                           xFract="-0.00548815"
                           y3="0.03599"
                           yFract="0.00426422"
                           z3="8.52026"
                           zFract="0.38345005"/>
                     <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="2.1483"
                           xFract="0.25453791"
                           y3="2.14927"
                           yFract="0.25465284"
                           z3="4.15764"
                           zFract="0.18711251"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25574"
                           xFract="0.26726777"
                           y3="1.9687"
                           yFract="0.23325829"
                           z3="9.09518"
                           zFract="0.40932403"/>
                     <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="4.18217"
                           xFract="0.49551777"
                           y3="2.09888"
                           yFract="0.24868246"
                           z3="6.37205"
                           zFract="0.28677093"/>
                     <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="6.31474"
                           xFract="0.74819194"
                           y3="0.07949"
                           yFract="0.00941825"
                           z3="6.37311"
                           zFract="0.28681863"/>
                     <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="4.24896"
                           xFract="0.50343128"
                           y3="0.03236"
                           yFract="0.00383412"
                           z3="4.20349"
                           zFract="0.18917597"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29381"
                           xFract="0.50874526"
                           y3="-0.01352"
                           yFract="-0.0016019"
                           z3="8.47342"
                           zFract="0.38134203"/>
                     <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="6.28623"
                           xFract="0.74481398"
                           y3="2.06816"
                           yFract="0.24504265"
                           z3="4.29393"
                           zFract="0.19324617"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26737"
                           xFract="0.74257938"
                           y3="2.07271"
                           yFract="0.24558175"
                           z3="8.45019"
                           zFract="0.38029658"/>
                     <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="-0.11332"
                           xFract="-0.01342654"
                           y3="6.38846"
                           yFract="0.75692654"
                           z3="6.40642"
                           zFract="0.28831773"/>
                     <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="2.14604"
                           xFract="0.25427014"
                           y3="4.15834"
                           yFract="0.49269431"
                           z3="6.35552"
                           zFract="0.286027"/>
                     <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="0.03778"
                           xFract="0.0044763"
                           y3="4.23653"
                           yFract="0.50195853"
                           z3="4.1553"
                           zFract="0.1870072"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06997"
                           xFract="0.00829028"
                           y3="4.15443"
                           yFract="0.49223104"
                           z3="8.63897"
                           zFract="0.38879253"/>
                     <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="2.12494"
                           xFract="0.25177014"
                           y3="6.31655"
                           yFract="0.7484064"
                           z3="4.26722"
                           zFract="0.1920441"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11433"
                           xFract="0.25051303"
                           y3="6.39524"
                           yFract="0.75772986"
                           z3="8.58058"
                           zFract="0.38616472"/>
                     <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="4.34888"
                           xFract="0.51527014"
                           y3="6.33151"
                           yFract="0.75017891"
                           z3="6.46122"
                           zFract="0.29078398"/>
                     <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="4.14071"
                           yFract="0.49060545"
                           z3="6.37692"
                           zFract="0.2869901"/>
                     <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="4.19852"
                           xFract="0.49745498"
                           y3="4.18379"
                           yFract="0.49570972"
                           z3="4.29746"
                           zFract="0.19340504"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20886"
                           xFract="0.49868009"
                           y3="4.19984"
                           yFract="0.49761137"
                           z3="8.49985"
                           zFract="0.3825315"/>
                     <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="6.30734"
                           xFract="0.74731517"
                           y3="6.35486"
                           yFract="0.7529455"
                           z3="4.05393"
                           zFract="0.18244509"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36524"
                           xFract="0.75417536"
                           y3="6.35526"
                           yFract="0.75299289"
                           z3="8.71357"
                           zFract="0.39214986"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02649"
                           xFract="0.24010545"
                           y3="2.10184"
                           yFract="0.24903318"
                           z3="10.03367"
                           zFract="0.45156031"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33359"
                           xFract="0.75042536"
                           y3="2.09826"
                           yFract="0.248609"
                           z3="6.36655"
                           zFract="0.2865234"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34592"
                           xFract="0.75188626"
                           y3="-0.03105"
                           yFract="-0.00367891"
                           z3="8.45616"
                           zFract="0.38056526"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20951"
                           xFract="0.49875711"
                           y3="-0.01181"
                           yFract="-0.00139929"
                           z3="6.38733"
                           zFract="0.2874586"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01803"
                           xFract="0.00213626"
                           y3="0.02652"
                           yFract="0.00314218"
                           z3="6.4172"
                           zFract="0.28880288"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2745"
                           xFract="0.50645735"
                           y3="2.07183"
                           yFract="0.24547749"
                           z3="8.43093"
                           zFract="0.37942979"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25927"
                           xFract="0.50465284"
                           y3="6.35961"
                           yFract="0.75350829"
                           z3="8.48777"
                           zFract="0.38198785"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.24056"
                           xFract="0.50243602"
                           y3="4.23698"
                           yFract="0.50201185"
                           z3="6.35567"
                           zFract="0.28603375"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12318"
                           xFract="0.25156161"
                           y3="4.24903"
                           yFract="0.50343957"
                           z3="4.21955"
                           zFract="0.18989874"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2244"
                           xFract="0.50052133"
                           y3="2.10792"
                           yFract="0.24975355"
                           z3="4.22815"
                           zFract="0.19028578"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.39693"
                           xFract="0.75793009"
                           y3="4.22521"
                           yFract="0.5006173"
                           z3="8.42777"
                           zFract="0.37928758"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31742"
                           xFract="0.74850948"
                           y3="-0.01758"
                           yFract="-0.00208294"
                           z3="4.20695"
                           zFract="0.18933168"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12857"
                           xFract="0.25220024"
                           y3="-0.04313"
                           yFract="-0.00511019"
                           z3="8.67102"
                           zFract="0.39023492"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33696"
                           xFract="0.75082464"
                           y3="6.35191"
                           yFract="0.75259597"
                           z3="6.41709"
                           zFract="0.28879793"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1284"
                           xFract="0.25218009"
                           y3="6.36973"
                           yFract="0.75470735"
                           z3="6.38827"
                           zFract="0.2875009"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.1021"
                           xFract="-0.01209716"
                           y3="2.08821"
                           yFract="0.24741825"
                           z3="8.62272"
                           zFract="0.38806121"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.02008"
                           xFract="0.00237915"
                           y3="4.23153"
                           yFract="0.50136611"
                           z3="6.38759"
                           zFract="0.2874703"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21126"
                           xFract="0.49896445"
                           y3="6.33874"
                           yFract="0.75103555"
                           z3="4.31844"
                           zFract="0.19434923"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32702"
                           xFract="0.74964692"
                           y3="4.2364"
                           yFract="0.50194313"
                           z3="4.23793"
                           zFract="0.19072592"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11883"
                           xFract="0.25104621"
                           y3="-0.02031"
                           yFract="-0.0024064"
                           z3="4.24344"
                           zFract="0.1909739"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.02958"
                           xFract="-0.00350474"
                           y3="2.12604"
                           yFract="0.25190047"
                           z3="4.24296"
                           zFract="0.1909523"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0043"
                           xFract="-0.00050948"
                           y3="6.36249"
                           yFract="0.75384953"
                           z3="8.55481"
                           zFract="0.38500495"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06015"
                           xFract="0.2440936"
                           y3="2.09527"
                           yFract="0.24825474"
                           z3="6.20253"
                           zFract="0.27914176"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00532"
                           xFract="-0.00063033"
                           y3="6.32115"
                           yFract="0.74895142"
                           z3="4.29553"
                           zFract="0.19331818"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10098"
                           xFract="0.24893128"
                           y3="4.30282"
                           yFract="0.5098128"
                           z3="8.4435"
                           zFract="0.3799955"/>
                     <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="-0.01611"
                           xFract="-0.00190877"
                           y3="2.07524"
                           yFract="0.24588152"
                           z3="6.3034"
                           zFract="0.28368137"/>
                     <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="2.11814"
                           xFract="0.25096445"
                           y3="0.06982"
                           yFract="0.00827251"
                           z3="6.33363"
                           zFract="0.28504185"/>
                     <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="-0.03938"
                           xFract="-0.00466588"
                           y3="-0.01674"
                           yFract="-0.00198341"
                           z3="4.27282"
                           zFract="0.19229613"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04698"
                           xFract="-0.00556635"
                           y3="0.0366"
                           yFract="0.00433649"
                           z3="8.52081"
                           zFract="0.3834748"/>
                     <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="2.14807"
                           xFract="0.25451066"
                           y3="2.14905"
                           yFract="0.25462678"
                           z3="4.15583"
                           zFract="0.18703105"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.25719"
                           xFract="0.26743957"
                           y3="1.96838"
                           yFract="0.23322038"
                           z3="9.09478"
                           zFract="0.40930603"/>
                     <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="4.18204"
                           xFract="0.49550237"
                           y3="2.09911"
                           yFract="0.24870972"
                           z3="6.37312"
                           zFract="0.28681908"/>
                     <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="6.3145"
                           xFract="0.74816351"
                           y3="0.08036"
                           yFract="0.00952133"
                           z3="6.37385"
                           zFract="0.28685194"/>
                     <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="4.24875"
                           xFract="0.5034064"
                           y3="0.03202"
                           yFract="0.00379384"
                           z3="4.20346"
                           zFract="0.18917462"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29406"
                           xFract="0.50877488"
                           y3="-0.01376"
                           yFract="-0.00163033"
                           z3="8.47451"
                           zFract="0.38139109"/>
                     <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="6.28668"
                           xFract="0.7448673"
                           y3="2.06846"
                           yFract="0.2450782"
                           z3="4.29521"
                           zFract="0.19330378"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26921"
                           xFract="0.74279739"
                           y3="2.0731"
                           yFract="0.24562796"
                           z3="8.4503"
                           zFract="0.38030153"/>
                     <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="-0.11326"
                           xFract="-0.01341943"
                           y3="6.38836"
                           yFract="0.75691469"
                           z3="6.40643"
                           zFract="0.28831818"/>
                     <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="2.14549"
                           xFract="0.25420498"
                           y3="4.15789"
                           yFract="0.492641"
                           z3="6.3559"
                           zFract="0.2860441"/>
                     <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="0.03769"
                           xFract="0.00446564"
                           y3="4.23666"
                           yFract="0.50197393"
                           z3="4.1551"
                           zFract="0.1869982"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06973"
                           xFract="0.00826185"
                           y3="4.15413"
                           yFract="0.4921955"
                           z3="8.64153"
                           zFract="0.38890774"/>
                     <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="2.12483"
                           xFract="0.25175711"
                           y3="6.31659"
                           yFract="0.74841114"
                           z3="4.26777"
                           zFract="0.19206886"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11449"
                           xFract="0.25053199"
                           y3="6.39604"
                           yFract="0.75782464"
                           z3="8.58031"
                           zFract="0.38615257"/>
                     <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="4.34905"
                           xFract="0.51529028"
                           y3="6.33134"
                           yFract="0.75015877"
                           z3="6.46202"
                           zFract="0.29081998"/>
                     <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="6.31642"
                           xFract="0.748391"
                           y3="4.14058"
                           yFract="0.49059005"
                           z3="6.37825"
                           zFract="0.28704995"/>
                     <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="4.19818"
                           xFract="0.49741469"
                           y3="4.18402"
                           yFract="0.49573697"
                           z3="4.29809"
                           zFract="0.19343339"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20935"
                           xFract="0.49873815"
                           y3="4.20073"
                           yFract="0.49771682"
                           z3="8.50042"
                           zFract="0.38255716"/>
                     <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="6.30738"
                           xFract="0.74731991"
                           y3="6.35503"
                           yFract="0.75296564"
                           z3="4.05353"
                           zFract="0.18242709"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36431"
                           xFract="0.75406517"
                           y3="6.35449"
                           yFract="0.75290166"
                           z3="8.71476"
                           zFract="0.39220342"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.02934"
                           xFract="0.24044313"
                           y3="2.10094"
                           yFract="0.24892654"
                           z3="10.04483"
                           zFract="0.45206256"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33243"
                           xFract="0.75028791"
                           y3="2.09543"
                           yFract="0.2482737"
                           z3="6.36851"
                           zFract="0.28661161"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34589"
                           xFract="0.7518827"
                           y3="-0.02958"
                           yFract="-0.00350474"
                           z3="8.45804"
                           zFract="0.38064986"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20926"
                           xFract="0.49872749"
                           y3="-0.0114"
                           yFract="-0.00135071"
                           z3="6.38892"
                           zFract="0.28753015"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01826"
                           xFract="0.00216351"
                           y3="0.02577"
                           yFract="0.00305332"
                           z3="6.4192"
                           zFract="0.28889289"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27069"
                           xFract="0.50600592"
                           y3="2.0712"
                           yFract="0.24540284"
                           z3="8.43289"
                           zFract="0.379518"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25882"
                           xFract="0.50459953"
                           y3="6.35883"
                           yFract="0.75341588"
                           z3="8.49086"
                           zFract="0.38212691"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23737"
                           xFract="0.50205806"
                           y3="4.2364"
                           yFract="0.50194313"
                           z3="6.35897"
                           zFract="0.28618227"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12383"
                           xFract="0.25163863"
                           y3="4.25162"
                           yFract="0.50374645"
                           z3="4.21924"
                           zFract="0.18988479"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.22839"
                           xFract="0.50099408"
                           y3="2.10834"
                           yFract="0.24980332"
                           z3="4.2297"
                           zFract="0.19035554"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.39904"
                           xFract="0.75818009"
                           y3="4.22352"
                           yFract="0.50041706"
                           z3="8.43156"
                           zFract="0.37945815"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31519"
                           xFract="0.74824526"
                           y3="-0.0159"
                           yFract="-0.00188389"
                           z3="4.20929"
                           zFract="0.18943699"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12746"
                           xFract="0.25206872"
                           y3="-0.04543"
                           yFract="-0.0053827"
                           z3="8.67692"
                           zFract="0.39050045"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33719"
                           xFract="0.7508519"
                           y3="6.35205"
                           yFract="0.75261256"
                           z3="6.41692"
                           zFract="0.28879028"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12869"
                           xFract="0.25221445"
                           y3="6.36936"
                           yFract="0.75466351"
                           z3="6.38988"
                           zFract="0.28757336"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10156"
                           xFract="-0.01203318"
                           y3="2.08812"
                           yFract="0.24740758"
                           z3="8.62504"
                           zFract="0.38816562"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01957"
                           xFract="0.00231872"
                           y3="4.23042"
                           yFract="0.5012346"
                           z3="6.38893"
                           zFract="0.2875306"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21155"
                           xFract="0.49899882"
                           y3="6.33831"
                           yFract="0.7509846"
                           z3="4.31833"
                           zFract="0.19434428"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32572"
                           xFract="0.74949289"
                           y3="4.23503"
                           yFract="0.50178081"
                           z3="4.23775"
                           zFract="0.19071782"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11989"
                           xFract="0.2511718"
                           y3="-0.02166"
                           yFract="-0.00256635"
                           z3="4.24391"
                           zFract="0.19099505"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03198"
                           xFract="-0.0037891"
                           y3="2.12732"
                           yFract="0.25205213"
                           z3="4.24218"
                           zFract="0.19091719"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00338"
                           xFract="-0.00040047"
                           y3="6.36071"
                           yFract="0.75363863"
                           z3="8.55675"
                           zFract="0.38509226"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06091"
                           xFract="0.24418365"
                           y3="2.09755"
                           yFract="0.24852488"
                           z3="6.2069"
                           zFract="0.27933843"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00536"
                           xFract="-0.00063507"
                           y3="6.3199"
                           yFract="0.74880332"
                           z3="4.29708"
                           zFract="0.19338794"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10151"
                           xFract="0.24899408"
                           y3="4.30381"
                           yFract="0.50993009"
                           z3="8.44659"
                           zFract="0.38013456"/>
                     <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="-0.01425"
                           xFract="-0.00168839"
                           y3="2.07663"
                           yFract="0.24604621"
                           z3="6.30497"
                           zFract="0.28375203"/>
                     <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="2.1183"
                           xFract="0.25098341"
                           y3="0.06829"
                           yFract="0.00809123"
                           z3="6.33559"
                           zFract="0.28513006"/>
                     <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="-0.03929"
                           xFract="-0.00465521"
                           y3="-0.01709"
                           yFract="-0.00202488"
                           z3="4.27304"
                           zFract="0.19230603"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.04895"
                           xFract="-0.00579976"
                           y3="0.03842"
                           yFract="0.00455213"
                           z3="8.52245"
                           zFract="0.3835486"/>
                     <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="2.14739"
                           xFract="0.25443009"
                           y3="2.14839"
                           yFract="0.25454858"
                           z3="4.1504"
                           zFract="0.18678668"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26151"
                           xFract="0.26795142"
                           y3="1.96744"
                           yFract="0.233109"
                           z3="9.09357"
                           zFract="0.40925158"/>
                     <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="4.18164"
                           xFract="0.49545498"
                           y3="2.09979"
                           yFract="0.24879028"
                           z3="6.37631"
                           zFract="0.28696265"/>
                     <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="6.3138"
                           xFract="0.74808057"
                           y3="0.0830"
                           yFract="0.00983412"
                           z3="6.37609"
                           zFract="0.28695275"/>
                     <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="4.24811"
                           xFract="0.50333057"
                           y3="0.03101"
                           yFract="0.00367417"
                           z3="4.20335"
                           zFract="0.18916967"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29481"
                           xFract="0.50886374"
                           y3="-0.01445"
                           yFract="-0.00171209"
                           z3="8.4778"
                           zFract="0.38153915"/>
                     <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="6.28804"
                           xFract="0.74502844"
                           y3="2.06936"
                           yFract="0.24518483"
                           z3="4.29903"
                           zFract="0.1934757"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27474"
                           xFract="0.74345261"
                           y3="2.07428"
                           yFract="0.24576777"
                           z3="8.4506"
                           zFract="0.38031503"/>
                     <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="-0.11306"
                           xFract="-0.01339573"
                           y3="6.38803"
                           yFract="0.75687559"
                           z3="6.40647"
                           zFract="0.28831998"/>
                     <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="2.14384"
                           xFract="0.25400948"
                           y3="4.15656"
                           yFract="0.49248341"
                           z3="6.35706"
                           zFract="0.28609631"/>
                     <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="0.03741"
                           xFract="0.00443246"
                           y3="4.23705"
                           yFract="0.50202014"
                           z3="4.15452"
                           zFract="0.1869721"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06903"
                           xFract="0.00817891"
                           y3="4.15321"
                           yFract="0.49208649"
                           z3="8.64921"
                           zFract="0.38925338"/>
                     <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="2.12449"
                           xFract="0.25171682"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="4.26944"
                           zFract="0.19214401"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11497"
                           xFract="0.25058886"
                           y3="6.39843"
                           yFract="0.75810782"
                           z3="8.5795"
                           zFract="0.38611611"/>
                     <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="4.34957"
                           xFract="0.5153519"
                           y3="6.33086"
                           yFract="0.7501019"
                           z3="6.46441"
                           zFract="0.29092754"/>
                     <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="6.31886"
                           xFract="0.74868009"
                           y3="4.1402"
                           yFract="0.49054502"
                           z3="6.38225"
                           zFract="0.28722997"/>
                     <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="4.19717"
                           xFract="0.49729502"
                           y3="4.18471"
                           yFract="0.49581872"
                           z3="4.3000"
                           zFract="0.19351935"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21081"
                           xFract="0.49891114"
                           y3="4.20338"
                           yFract="0.49803081"
                           z3="8.50214"
                           zFract="0.38263456"/>
                     <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="6.30748"
                           xFract="0.74733175"
                           y3="6.35555"
                           yFract="0.75302725"
                           z3="4.05234"
                           zFract="0.18237354"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36151"
                           xFract="0.75373341"
                           y3="6.3522"
                           yFract="0.75263033"
                           z3="8.71834"
                           zFract="0.39236454"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03504"
                           xFract="0.24111848"
                           y3="2.09913"
                           yFract="0.24871209"
                           z3="10.06715"
                           zFract="0.45306706"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3301"
                           xFract="0.75001185"
                           y3="2.08976"
                           yFract="0.2476019"
                           z3="6.37245"
                           zFract="0.28678893"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34584"
                           xFract="0.75187678"
                           y3="-0.02665"
                           yFract="-0.00315758"
                           z3="8.4618"
                           zFract="0.38081908"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20874"
                           xFract="0.49866588"
                           y3="-0.01057"
                           yFract="-0.00125237"
                           z3="6.39209"
                           zFract="0.28767282"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01871"
                           xFract="0.00221682"
                           y3="0.02427"
                           yFract="0.00287559"
                           z3="6.4232"
                           zFract="0.28907291"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26307"
                           xFract="0.50510308"
                           y3="2.06993"
                           yFract="0.24525237"
                           z3="8.4368"
                           zFract="0.37969397"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25791"
                           xFract="0.50449171"
                           y3="6.35726"
                           yFract="0.75322986"
                           z3="8.49704"
                           zFract="0.38240504"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23098"
                           xFract="0.50130095"
                           y3="4.23523"
                           yFract="0.5018045"
                           z3="6.36558"
                           zFract="0.28647975"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12513"
                           xFract="0.25179265"
                           y3="4.25679"
                           yFract="0.504359"
                           z3="4.21862"
                           zFract="0.18985689"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23636"
                           xFract="0.50193839"
                           y3="2.10918"
                           yFract="0.24990284"
                           z3="4.23279"
                           zFract="0.1904946"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40324"
                           xFract="0.75867773"
                           y3="4.22014"
                           yFract="0.50001659"
                           z3="8.43915"
                           zFract="0.37979973"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31073"
                           xFract="0.74771682"
                           y3="-0.01254"
                           yFract="-0.00148578"
                           z3="4.21398"
                           zFract="0.18964806"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12526"
                           xFract="0.25180806"
                           y3="-0.05004"
                           yFract="-0.00592891"
                           z3="8.6887"
                           zFract="0.3910306"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33764"
                           xFract="0.75090521"
                           y3="6.35234"
                           yFract="0.75264692"
                           z3="6.41658"
                           zFract="0.28877498"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12927"
                           xFract="0.25228318"
                           y3="6.36863"
                           yFract="0.75457701"
                           z3="6.39309"
                           zFract="0.28771782"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10048"
                           xFract="-0.01190521"
                           y3="2.08794"
                           yFract="0.24738626"
                           z3="8.62967"
                           zFract="0.38837399"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01854"
                           xFract="0.00219668"
                           y3="4.22821"
                           yFract="0.50097275"
                           z3="6.39161"
                           zFract="0.28765122"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21212"
                           xFract="0.49906635"
                           y3="6.33747"
                           yFract="0.75088507"
                           z3="4.3181"
                           zFract="0.19433393"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32312"
                           xFract="0.74918483"
                           y3="4.23229"
                           yFract="0.50145616"
                           z3="4.2374"
                           zFract="0.19070207"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1220"
                           xFract="0.2514218"
                           y3="-0.02436"
                           yFract="-0.00288626"
                           z3="4.24483"
                           zFract="0.19103645"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0368"
                           xFract="-0.00436019"
                           y3="2.12989"
                           yFract="0.25235664"
                           z3="4.24062"
                           zFract="0.19084698"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00154"
                           xFract="-0.00018246"
                           y3="6.35713"
                           yFract="0.75321445"
                           z3="8.56062"
                           zFract="0.38526643"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06245"
                           xFract="0.24436611"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="6.21565"
                           zFract="0.27973222"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00545"
                           xFract="-0.00064573"
                           y3="6.31741"
                           yFract="0.74850829"
                           z3="4.30017"
                           zFract="0.193527"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10257"
                           xFract="0.24911967"
                           y3="4.30579"
                           yFract="0.51016469"
                           z3="8.45276"
                           zFract="0.38041224"/>
                     <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="-0.01052"
                           xFract="-0.00124645"
                           y3="2.07943"
                           yFract="0.24637796"
                           z3="6.30812"
                           zFract="0.28389379"/>
                     <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="2.11862"
                           xFract="0.25102133"
                           y3="0.06522"
                           yFract="0.00772749"
                           z3="6.33952"
                           zFract="0.28530693"/>
                     <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="-0.0391"
                           xFract="-0.0046327"
                           y3="-0.01779"
                           yFract="-0.00210782"
                           z3="4.27346"
                           zFract="0.19232493"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0529"
                           xFract="-0.00626777"
                           y3="0.04206"
                           yFract="0.00498341"
                           z3="8.52574"
                           zFract="0.38369667"/>
                     <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="2.14604"
                           xFract="0.25427014"
                           y3="2.14707"
                           yFract="0.25439218"
                           z3="4.13955"
                           zFract="0.18629838"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.27017"
                           xFract="0.26897749"
                           y3="1.96557"
                           yFract="0.23288744"
                           z3="9.09116"
                           zFract="0.40914311"/>
                     <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="4.18085"
                           xFract="0.49536137"
                           y3="2.10117"
                           yFract="0.24895379"
                           z3="6.38269"
                           zFract="0.28724977"/>
                     <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="6.31239"
                           xFract="0.74791351"
                           y3="0.08828"
                           yFract="0.01045972"
                           z3="6.38056"
                           zFract="0.28715392"/>
                     <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="4.24682"
                           xFract="0.50317773"
                           y3="0.02899"
                           yFract="0.00343483"
                           z3="4.20313"
                           zFract="0.18915977"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29631"
                           xFract="0.50904147"
                           y3="-0.01584"
                           yFract="-0.00187678"
                           z3="8.48438"
                           zFract="0.38183528"/>
                     <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="6.29077"
                           xFract="0.7453519"
                           y3="2.07116"
                           yFract="0.2453981"
                           z3="4.30667"
                           zFract="0.19381953"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28578"
                           xFract="0.74476066"
                           y3="2.07662"
                           yFract="0.24604502"
                           z3="8.4512"
                           zFract="0.38034203"/>
                     <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="-0.11266"
                           xFract="-0.01334834"
                           y3="6.38739"
                           yFract="0.75679976"
                           z3="6.40656"
                           zFract="0.28832403"/>
                     <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="2.14053"
                           xFract="0.2536173"
                           y3="4.15389"
                           yFract="0.49216706"
                           z3="6.35938"
                           zFract="0.28620072"/>
                     <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="0.03685"
                           xFract="0.00436611"
                           y3="4.23783"
                           yFract="0.50211256"
                           z3="4.15334"
                           zFract="0.18691899"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06762"
                           xFract="0.00801185"
                           y3="4.15136"
                           yFract="0.4918673"
                           z3="8.66456"
                           zFract="0.38994419"/>
                     <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="2.12383"
                           xFract="0.25163863"
                           y3="6.3170"
                           yFract="0.74845972"
                           z3="4.27278"
                           zFract="0.19229433"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11595"
                           xFract="0.25070498"
                           y3="6.40322"
                           yFract="0.75867536"
                           z3="8.57789"
                           zFract="0.38604365"/>
                     <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="4.35061"
                           xFract="0.51547512"
                           y3="6.32989"
                           yFract="0.74998697"
                           z3="6.46918"
                           zFract="0.29114221"/>
                     <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="6.32376"
                           xFract="0.74926066"
                           y3="4.13943"
                           yFract="0.49045379"
                           z3="6.39025"
                           zFract="0.28759001"/>
                     <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="4.19513"
                           xFract="0.49705332"
                           y3="4.1861"
                           yFract="0.49598341"
                           z3="4.30381"
                           zFract="0.19369082"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21373"
                           xFract="0.49925711"
                           y3="4.2087"
                           yFract="0.49866114"
                           z3="8.50558"
                           zFract="0.38278938"/>
                     <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="6.3077"
                           xFract="0.74735782"
                           y3="6.35658"
                           yFract="0.75314929"
                           z3="4.04994"
                           zFract="0.18226553"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35591"
                           xFract="0.75306991"
                           y3="6.34762"
                           yFract="0.75208768"
                           z3="8.72551"
                           zFract="0.39268722"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03098"
                           xFract="0.24063744"
                           y3="2.10042"
                           yFract="0.24886493"
                           z3="10.05125"
                           zFract="0.45235149"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33176"
                           xFract="0.75020853"
                           y3="2.0938"
                           yFract="0.24808057"
                           z3="6.36964"
                           zFract="0.28666247"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34588"
                           xFract="0.75188152"
                           y3="-0.02874"
                           yFract="-0.00340521"
                           z3="8.45912"
                           zFract="0.38069847"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20911"
                           xFract="0.49870972"
                           y3="-0.01116"
                           yFract="-0.00132227"
                           z3="6.38983"
                           zFract="0.28757111"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01838"
                           xFract="0.00217773"
                           y3="0.02534"
                           yFract="0.00300237"
                           z3="6.42035"
                           zFract="0.28894464"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2685"
                           xFract="0.50574645"
                           y3="2.07083"
                           yFract="0.245359"
                           z3="8.43401"
                           zFract="0.37956841"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25856"
                           xFract="0.50456872"
                           y3="6.35838"
                           yFract="0.75336256"
                           z3="8.49264"
                           zFract="0.38220702"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23553"
                           xFract="0.50184005"
                           y3="4.23606"
                           yFract="0.50190284"
                           z3="6.36087"
                           zFract="0.28626778"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1242"
                           xFract="0.25168246"
                           y3="4.25311"
                           yFract="0.50392299"
                           z3="4.21906"
                           zFract="0.18987669"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23068"
                           xFract="0.5012654"
                           y3="2.10858"
                           yFract="0.24983175"
                           z3="4.23059"
                           zFract="0.19039559"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40024"
                           xFract="0.75832227"
                           y3="4.22255"
                           yFract="0.50030213"
                           z3="8.43374"
                           zFract="0.37955626"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31391"
                           xFract="0.7480936"
                           y3="-0.01493"
                           yFract="-0.00176896"
                           z3="4.21064"
                           zFract="0.18949775"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12683"
                           xFract="0.25199408"
                           y3="-0.04676"
                           yFract="-0.00554028"
                           z3="8.6803"
                           zFract="0.39065257"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33732"
                           xFract="0.7508673"
                           y3="6.35213"
                           yFract="0.75262204"
                           z3="6.41682"
                           zFract="0.28878578"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12886"
                           xFract="0.2522346"
                           y3="6.36915"
                           yFract="0.75463863"
                           z3="6.3908"
                           zFract="0.28761476"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10125"
                           xFract="-0.01199645"
                           y3="2.08807"
                           yFract="0.24740166"
                           z3="8.62637"
                           zFract="0.38822547"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01927"
                           xFract="0.00228318"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="6.3897"
                           zFract="0.28756526"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21171"
                           xFract="0.49901777"
                           y3="6.33807"
                           yFract="0.75095616"
                           z3="4.31826"
                           zFract="0.19434113"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32498"
                           xFract="0.74940521"
                           y3="4.23424"
                           yFract="0.5016872"
                           z3="4.23765"
                           zFract="0.19071332"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1205"
                           xFract="0.25124408"
                           y3="-0.02244"
                           yFract="-0.00265877"
                           z3="4.24417"
                           zFract="0.19100675"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03337"
                           xFract="-0.00395379"
                           y3="2.12806"
                           yFract="0.25213981"
                           z3="4.24173"
                           zFract="0.19089694"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00285"
                           xFract="-0.00033768"
                           y3="6.35968"
                           yFract="0.75351659"
                           z3="8.55786"
                           zFract="0.38514221"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06136"
                           xFract="0.24423697"
                           y3="2.09887"
                           yFract="0.24868128"
                           z3="6.20942"
                           zFract="0.27945185"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00539"
                           xFract="-0.00063863"
                           y3="6.31918"
                           yFract="0.74871801"
                           z3="4.29797"
                           zFract="0.19342799"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10182"
                           xFract="0.24903081"
                           y3="4.30438"
                           yFract="0.50999763"
                           z3="8.44836"
                           zFract="0.38021422"/>
                     <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="-0.01318"
                           xFract="-0.00156161"
                           y3="2.07744"
                           yFract="0.24614218"
                           z3="6.30588"
                           zFract="0.28379298"/>
                     <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="2.11839"
                           xFract="0.25099408"
                           y3="0.06741"
                           yFract="0.00798697"
                           z3="6.33672"
                           zFract="0.28518092"/>
                     <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="-0.03923"
                           xFract="-0.0046481"
                           y3="-0.01729"
                           yFract="-0.00204858"
                           z3="4.27316"
                           zFract="0.19231143"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05008"
                           xFract="-0.00593365"
                           y3="0.03946"
                           yFract="0.00467536"
                           z3="8.5234"
                           zFract="0.38359136"/>
                     <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="2.1470"
                           xFract="0.25438389"
                           y3="2.14801"
                           yFract="0.25450355"
                           z3="4.14728"
                           zFract="0.18664626"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2640"
                           xFract="0.26824645"
                           y3="1.9669"
                           yFract="0.23304502"
                           z3="9.09288"
                           zFract="0.40922052"/>
                     <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="4.18142"
                           xFract="0.49542891"
                           y3="2.10019"
                           yFract="0.24883768"
                           z3="6.37814"
                           zFract="0.287045"/>
                     <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="6.31339"
                           xFract="0.74803199"
                           y3="0.08452"
                           yFract="0.01001422"
                           z3="6.37738"
                           zFract="0.2870108"/>
                     <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="4.24774"
                           xFract="0.50328673"
                           y3="0.03043"
                           yFract="0.00360545"
                           z3="4.20328"
                           zFract="0.18916652"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29524"
                           xFract="0.50891469"
                           y3="-0.01485"
                           yFract="-0.00175948"
                           z3="8.4797"
                           zFract="0.38162466"/>
                     <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="6.28883"
                           xFract="0.74512204"
                           y3="2.06987"
                           yFract="0.24524526"
                           z3="4.30123"
                           zFract="0.19357471"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27791"
                           xFract="0.7438282"
                           y3="2.07495"
                           yFract="0.24584716"
                           z3="8.45077"
                           zFract="0.38032268"/>
                     <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="-0.11294"
                           xFract="-0.01338152"
                           y3="6.38785"
                           yFract="0.75685427"
                           z3="6.4065"
                           zFract="0.28832133"/>
                     <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="2.14289"
                           xFract="0.25389692"
                           y3="4.15579"
                           yFract="0.49239218"
                           z3="6.35773"
                           zFract="0.28612646"/>
                     <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="0.03725"
                           xFract="0.00441351"
                           y3="4.23727"
                           yFract="0.50204621"
                           z3="4.15418"
                           zFract="0.1869568"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06862"
                           xFract="0.00813033"
                           y3="4.15268"
                           yFract="0.4920237"
                           z3="8.65362"
                           zFract="0.38945185"/>
                     <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="2.1243"
                           xFract="0.25169431"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="4.2704"
                           zFract="0.19218722"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11525"
                           xFract="0.25062204"
                           y3="6.39981"
                           yFract="0.75827133"
                           z3="8.57904"
                           zFract="0.38609541"/>
                     <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="4.34987"
                           xFract="0.51538744"
                           y3="6.33058"
                           yFract="0.75006872"
                           z3="6.46578"
                           zFract="0.2909892"/>
                     <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="6.32027"
                           xFract="0.74884716"
                           y3="4.13998"
                           yFract="0.49051896"
                           z3="6.38455"
                           zFract="0.28733348"/>
                     <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="4.18511"
                           yFract="0.49586611"
                           z3="4.30109"
                           zFract="0.19356841"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21165"
                           xFract="0.49901066"
                           y3="4.20491"
                           yFract="0.49821209"
                           z3="8.50313"
                           zFract="0.38267912"/>
                     <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="6.30755"
                           xFract="0.74734005"
                           y3="6.35584"
                           yFract="0.75306161"
                           z3="4.05165"
                           zFract="0.18234248"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3599"
                           xFract="0.75354265"
                           y3="6.35089"
                           yFract="0.75247512"
                           z3="8.7204"
                           zFract="0.39245725"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03246"
                           xFract="0.2408128"
                           y3="2.09976"
                           yFract="0.24878673"
                           z3="10.05151"
                           zFract="0.45236319"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33147"
                           xFract="0.75017417"
                           y3="2.09308"
                           yFract="0.24799526"
                           z3="6.37029"
                           zFract="0.28669172"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34588"
                           xFract="0.75188152"
                           y3="-0.02841"
                           yFract="-0.00336611"
                           z3="8.45971"
                           zFract="0.38072502"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20901"
                           xFract="0.49869787"
                           y3="-0.01108"
                           yFract="-0.0013128"
                           z3="6.39031"
                           zFract="0.28759271"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01852"
                           xFract="0.00219431"
                           y3="0.02519"
                           yFract="0.0029846"
                           z3="6.42086"
                           zFract="0.2889676"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26758"
                           xFract="0.50563744"
                           y3="2.07067"
                           yFract="0.24534005"
                           z3="8.43453"
                           zFract="0.37959181"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25841"
                           xFract="0.50455095"
                           y3="6.35812"
                           yFract="0.75333175"
                           z3="8.49348"
                           zFract="0.38224482"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23472"
                           xFract="0.50174408"
                           y3="4.23592"
                           yFract="0.50188626"
                           z3="6.3618"
                           zFract="0.28630963"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12434"
                           xFract="0.25169905"
                           y3="4.25379"
                           yFract="0.50400355"
                           z3="4.21893"
                           zFract="0.18987084"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23175"
                           xFract="0.50139218"
                           y3="2.10873"
                           yFract="0.24984953"
                           z3="4.23099"
                           zFract="0.19041359"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4008"
                           xFract="0.75838863"
                           y3="4.22211"
                           yFract="0.50025"
                           z3="8.43485"
                           zFract="0.37960621"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31335"
                           xFract="0.74802725"
                           y3="-0.0145"
                           yFract="-0.00171801"
                           z3="4.21131"
                           zFract="0.1895279"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12652"
                           xFract="0.25195735"
                           y3="-0.04742"
                           yFract="-0.00561848"
                           z3="8.68186"
                           zFract="0.39072277"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33735"
                           xFract="0.75087085"
                           y3="6.35218"
                           yFract="0.75262796"
                           z3="6.4167"
                           zFract="0.28878038"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12895"
                           xFract="0.25224526"
                           y3="6.36909"
                           yFract="0.75463152"
                           z3="6.39121"
                           zFract="0.28763321"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10113"
                           xFract="-0.01198223"
                           y3="2.08808"
                           yFract="0.24740284"
                           z3="8.62702"
                           zFract="0.38825473"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01906"
                           xFract="0.00225829"
                           y3="4.22941"
                           yFract="0.50111493"
                           z3="6.39008"
                           zFract="0.28758236"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21178"
                           xFract="0.49902607"
                           y3="6.33792"
                           yFract="0.75093839"
                           z3="4.31826"
                           zFract="0.19434113"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32461"
                           xFract="0.74936137"
                           y3="4.23387"
                           yFract="0.50164336"
                           z3="4.23763"
                           zFract="0.19071242"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12076"
                           xFract="0.25127488"
                           y3="-0.02277"
                           yFract="-0.00269787"
                           z3="4.24429"
                           zFract="0.19101215"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03399"
                           xFract="-0.00402725"
                           y3="2.12839"
                           yFract="0.25217891"
                           z3="4.24154"
                           zFract="0.19088839"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00265"
                           xFract="-0.00031398"
                           y3="6.3591"
                           yFract="0.75344787"
                           z3="8.55839"
                           zFract="0.38516607"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06155"
                           xFract="0.24425948"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="6.21044"
                           zFract="0.27949775"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00542"
                           xFract="-0.00064218"
                           y3="6.31882"
                           yFract="0.74867536"
                           z3="4.29837"
                           zFract="0.19344599"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10192"
                           xFract="0.24904265"
                           y3="4.3047"
                           yFract="0.51003555"
                           z3="8.44919"
                           zFract="0.38025158"/>
                     <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="-0.01271"
                           xFract="-0.00150592"
                           y3="2.0779"
                           yFract="0.24619668"
                           z3="6.30629"
                           zFract="0.28381143"/>
                     <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="2.11846"
                           xFract="0.25100237"
                           y3="0.06704"
                           yFract="0.00794313"
                           z3="6.33719"
                           zFract="0.28520207"/>
                     <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="-0.03922"
                           xFract="-0.00464692"
                           y3="-0.0174"
                           yFract="-0.00206161"
                           z3="4.2732"
                           zFract="0.19231323"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05061"
                           xFract="-0.00599645"
                           y3="0.03993"
                           yFract="0.00473104"
                           z3="8.52384"
                           zFract="0.38361116"/>
                     <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="2.14687"
                           xFract="0.25436848"
                           y3="2.14782"
                           yFract="0.25448104"
                           z3="4.14588"
                           zFract="0.18658326"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26457"
                           xFract="0.26831398"
                           y3="1.96705"
                           yFract="0.2330628"
                           z3="9.09489"
                           zFract="0.40931098"/>
                     <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="4.18134"
                           xFract="0.49541943"
                           y3="2.10043"
                           yFract="0.24886611"
                           z3="6.37904"
                           zFract="0.28708551"/>
                     <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="6.31322"
                           xFract="0.74801185"
                           y3="0.08525"
                           yFract="0.01010071"
                           z3="6.37797"
                           zFract="0.28703735"/>
                     <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="4.24761"
                           xFract="0.50327133"
                           y3="0.03015"
                           yFract="0.00357227"
                           z3="4.2032"
                           zFract="0.18916292"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29543"
                           xFract="0.5089372"
                           y3="-0.01499"
                           yFract="-0.00177607"
                           z3="8.48063"
                           zFract="0.38166652"/>
                     <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="6.28917"
                           xFract="0.74516232"
                           y3="2.07013"
                           yFract="0.24527607"
                           z3="4.30231"
                           zFract="0.19362331"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27937"
                           xFract="0.74400118"
                           y3="2.07523"
                           yFract="0.24588033"
                           z3="8.45083"
                           zFract="0.38032538"/>
                     <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="-0.11286"
                           xFract="-0.01337204"
                           y3="6.38769"
                           yFract="0.75683531"
                           z3="6.40647"
                           zFract="0.28831998"/>
                     <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="2.14238"
                           xFract="0.25383649"
                           y3="4.1554"
                           yFract="0.49234597"
                           z3="6.35815"
                           zFract="0.28614536"/>
                     <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="0.03718"
                           xFract="0.00440521"
                           y3="4.23739"
                           yFract="0.50206043"
                           z3="4.15406"
                           zFract="0.1869514"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06847"
                           xFract="0.00811256"
                           y3="4.15247"
                           yFract="0.49199882"
                           z3="8.65581"
                           zFract="0.38955041"/>
                     <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="2.1242"
                           xFract="0.25168246"
                           y3="6.31682"
                           yFract="0.74843839"
                           z3="4.27081"
                           zFract="0.19220567"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11538"
                           xFract="0.25063744"
                           y3="6.4004"
                           yFract="0.75834123"
                           z3="8.57883"
                           zFract="0.38608596"/>
                     <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="4.34991"
                           xFract="0.51539218"
                           y3="6.33048"
                           yFract="0.75005687"
                           z3="6.46646"
                           zFract="0.2910198"/>
                     <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="4.13973"
                           yFract="0.49048934"
                           z3="6.38568"
                           zFract="0.28738434"/>
                     <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="4.19631"
                           xFract="0.49719313"
                           y3="4.18531"
                           yFract="0.49588981"
                           z3="4.30164"
                           zFract="0.19359316"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21203"
                           xFract="0.49905569"
                           y3="4.20565"
                           yFract="0.49829976"
                           z3="8.50352"
                           zFract="0.38269667"/>
                     <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="6.30757"
                           xFract="0.74734242"
                           y3="6.3560"
                           yFract="0.75308057"
                           z3="4.05139"
                           zFract="0.18233078"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35914"
                           xFract="0.75345261"
                           y3="6.35038"
                           yFract="0.75241469"
                           z3="8.72127"
                           zFract="0.3924964"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a58" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.03692"
                           xFract="0.24134123"
                           y3="2.0978"
                           yFract="0.2485545"
                           z3="10.05232"
                           zFract="0.45239964"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33059"
                           xFract="0.75006991"
                           y3="2.09094"
                           yFract="0.24774171"
                           z3="6.37222"
                           zFract="0.28677858"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34589"
                           xFract="0.7518827"
                           y3="-0.02742"
                           yFract="-0.00324882"
                           z3="8.46147"
                           zFract="0.38080423"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20871"
                           xFract="0.49866232"
                           y3="-0.01084"
                           yFract="-0.00128436"
                           z3="6.39177"
                           zFract="0.28765842"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01891"
                           xFract="0.00224052"
                           y3="0.02473"
                           yFract="0.00293009"
                           z3="6.42238"
                           zFract="0.289036"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26481"
                           xFract="0.50530924"
                           y3="2.0702"
                           yFract="0.24528436"
                           z3="8.43609"
                           zFract="0.37966202"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25795"
                           xFract="0.50449645"
                           y3="6.35736"
                           yFract="0.75324171"
                           z3="8.49601"
                           zFract="0.38235869"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23227"
                           xFract="0.50145379"
                           y3="4.23547"
                           yFract="0.50183294"
                           z3="6.36459"
                           zFract="0.28643519"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12475"
                           xFract="0.25174763"
                           y3="4.25585"
                           yFract="0.50424763"
                           z3="4.21855"
                           zFract="0.18985374"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23495"
                           xFract="0.50177133"
                           y3="2.10916"
                           yFract="0.24990047"
                           z3="4.23218"
                           zFract="0.19046715"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40245"
                           xFract="0.75858412"
                           y3="4.2208"
                           yFract="0.50009479"
                           z3="8.43817"
                           zFract="0.37975563"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31168"
                           xFract="0.74782938"
                           y3="-0.01321"
                           yFract="-0.00156517"
                           z3="4.2133"
                           zFract="0.18961746"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1256"
                           xFract="0.25184834"
                           y3="-0.04942"
                           yFract="-0.00585545"
                           z3="8.68651"
                           zFract="0.39093204"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33743"
                           xFract="0.75088033"
                           y3="6.3523"
                           yFract="0.75264218"
                           z3="6.41634"
                           zFract="0.28876418"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12924"
                           xFract="0.25227962"
                           y3="6.3689"
                           yFract="0.754609"
                           z3="6.39242"
                           zFract="0.28768767"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10077"
                           xFract="-0.01193957"
                           y3="2.08811"
                           yFract="0.2474064"
                           z3="8.62895"
                           zFract="0.38834158"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01841"
                           xFract="0.00218128"
                           y3="4.22829"
                           yFract="0.50098223"
                           z3="6.3912"
                           zFract="0.28763276"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21199"
                           xFract="0.49905095"
                           y3="6.33748"
                           yFract="0.75088626"
                           z3="4.31825"
                           zFract="0.19434068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32352"
                           xFract="0.74923223"
                           y3="4.23277"
                           yFract="0.50151303"
                           z3="4.23756"
                           zFract="0.19070927"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12156"
                           xFract="0.25136967"
                           y3="-0.02379"
                           yFract="-0.00281872"
                           z3="4.24465"
                           zFract="0.19102835"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03584"
                           xFract="-0.00424645"
                           y3="2.12938"
                           yFract="0.25229621"
                           z3="4.24098"
                           zFract="0.19086319"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00203"
                           xFract="-0.00024052"
                           y3="6.35738"
                           yFract="0.75324408"
                           z3="8.55999"
                           zFract="0.38523807"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06212"
                           xFract="0.24432701"
                           y3="2.10108"
                           yFract="0.24894313"
                           z3="6.21352"
                           zFract="0.27963636"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00552"
                           xFract="-0.00065403"
                           y3="6.31774"
                           yFract="0.74854739"
                           z3="4.29959"
                           zFract="0.1935009"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10225"
                           xFract="0.24908175"
                           y3="4.30568"
                           yFract="0.51015166"
                           z3="8.45167"
                           zFract="0.38036319"/>
                     <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="-0.0113"
                           xFract="-0.00133886"
                           y3="2.07928"
                           yFract="0.24636019"
                           z3="6.30754"
                           zFract="0.28386769"/>
                     <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="2.11868"
                           xFract="0.25102844"
                           y3="0.06593"
                           yFract="0.00781161"
                           z3="6.3386"
                           zFract="0.28526553"/>
                     <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="-0.03917"
                           xFract="-0.004641"
                           y3="-0.01772"
                           yFract="-0.00209953"
                           z3="4.27332"
                           zFract="0.19231863"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05218"
                           xFract="-0.00618246"
                           y3="0.04134"
                           yFract="0.0048981"
                           z3="8.52518"
                           zFract="0.38367147"/>
                     <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="2.14646"
                           xFract="0.25431991"
                           y3="2.14724"
                           yFract="0.25441232"
                           z3="4.14168"
                           zFract="0.18639424"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26627"
                           xFract="0.2685154"
                           y3="1.96749"
                           yFract="0.23311493"
                           z3="9.10094"
                           zFract="0.40958326"/>
                     <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="4.18111"
                           xFract="0.49539218"
                           y3="2.10116"
                           yFract="0.24895261"
                           z3="6.38173"
                           zFract="0.28720657"/>
                     <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="6.3127"
                           xFract="0.74795024"
                           y3="0.08743"
                           yFract="0.010359"
                           z3="6.37977"
                           zFract="0.28711836"/>
                     <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="4.24721"
                           xFract="0.50322393"
                           y3="0.02931"
                           yFract="0.00347275"
                           z3="4.20295"
                           zFract="0.18915167"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29601"
                           xFract="0.50900592"
                           y3="-0.0154"
                           yFract="-0.00182464"
                           z3="8.48342"
                           zFract="0.38179208"/>
                     <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="6.2902"
                           xFract="0.74528436"
                           y3="2.07089"
                           yFract="0.24536611"
                           z3="4.30556"
                           zFract="0.19376958"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28373"
                           xFract="0.74451777"
                           y3="2.07608"
                           yFract="0.24598104"
                           z3="8.45102"
                           zFract="0.38033393"/>
                     <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="-0.1126"
                           xFract="-0.01334123"
                           y3="6.38721"
                           yFract="0.75677844"
                           z3="6.40641"
                           zFract="0.28831728"/>
                     <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="2.14087"
                           xFract="0.25365758"
                           y3="4.15423"
                           yFract="0.49220735"
                           z3="6.35943"
                           zFract="0.28620297"/>
                     <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="0.03695"
                           xFract="0.00437796"
                           y3="4.23775"
                           yFract="0.50210308"
                           z3="4.1537"
                           zFract="0.18693519"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06801"
                           xFract="0.00805806"
                           y3="4.15186"
                           yFract="0.49192654"
                           z3="8.66238"
                           zFract="0.38984608"/>
                     <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="2.12388"
                           xFract="0.25164455"
                           y3="6.31685"
                           yFract="0.74844194"
                           z3="4.27205"
                           zFract="0.19226148"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11574"
                           xFract="0.25068009"
                           y3="6.40218"
                           yFract="0.75855213"
                           z3="8.57822"
                           zFract="0.38605851"/>
                     <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="4.35004"
                           xFract="0.51540758"
                           y3="6.33017"
                           yFract="0.75002014"
                           z3="6.46849"
                           zFract="0.29111116"/>
                     <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="6.32323"
                           xFract="0.74919787"
                           y3="4.1390"
                           yFract="0.49040284"
                           z3="6.38905"
                           zFract="0.287536"/>
                     <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="4.19549"
                           xFract="0.49709597"
                           y3="4.18589"
                           yFract="0.49595853"
                           z3="4.30329"
                           zFract="0.19366742"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21319"
                           xFract="0.49919313"
                           y3="4.20785"
                           yFract="0.49856043"
                           z3="8.50469"
                           zFract="0.38274932"/>
                     <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="6.30764"
                           xFract="0.74735071"
                           y3="6.35647"
                           yFract="0.75313626"
                           z3="4.05061"
                           zFract="0.18229568"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35685"
                           xFract="0.75318128"
                           y3="6.34885"
                           yFract="0.75223341"
                           z3="8.72386"
                           zFract="0.39261296"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04584"
                           xFract="0.2423981"
                           y3="2.09388"
                           yFract="0.24809005"
                           z3="10.05393"
                           zFract="0.4524721"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32884"
                           xFract="0.74986256"
                           y3="2.08665"
                           yFract="0.24723341"
                           z3="6.37609"
                           zFract="0.28695275"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34591"
                           xFract="0.75188507"
                           y3="-0.02544"
                           yFract="-0.00301422"
                           z3="8.4650"
                           zFract="0.3809631"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2081"
                           xFract="0.49859005"
                           y3="-0.01036"
                           yFract="-0.00122749"
                           z3="6.39469"
                           zFract="0.28778983"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01969"
                           xFract="0.00233294"
                           y3="0.02383"
                           yFract="0.00282346"
                           z3="6.42542"
                           zFract="0.28917282"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25929"
                           xFract="0.50465521"
                           y3="2.06925"
                           yFract="0.2451718"
                           z3="8.43921"
                           zFract="0.37980243"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25704"
                           xFract="0.50438863"
                           y3="6.35584"
                           yFract="0.75306161"
                           z3="8.50106"
                           zFract="0.38258596"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22738"
                           xFract="0.50087441"
                           y3="4.23459"
                           yFract="0.50172867"
                           z3="6.37016"
                           zFract="0.28668587"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12557"
                           xFract="0.25184479"
                           y3="4.25995"
                           yFract="0.50473341"
                           z3="4.21778"
                           zFract="0.18981908"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24135"
                           xFract="0.50252962"
                           y3="2.11002"
                           yFract="0.25000237"
                           z3="4.23457"
                           zFract="0.19057471"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40577"
                           xFract="0.75897749"
                           y3="4.21819"
                           yFract="0.49978555"
                           z3="8.44481"
                           zFract="0.38005446"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30835"
                           xFract="0.74743483"
                           y3="-0.01064"
                           yFract="-0.00126066"
                           z3="4.21729"
                           zFract="0.18979703"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12377"
                           xFract="0.25163152"
                           y3="-0.05342"
                           yFract="-0.00632938"
                           z3="8.69581"
                           zFract="0.39135059"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3376"
                           xFract="0.75090047"
                           y3="6.35255"
                           yFract="0.7526718"
                           z3="6.41561"
                           zFract="0.28873132"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12981"
                           xFract="0.25234716"
                           y3="6.36851"
                           yFract="0.7545628"
                           z3="6.39484"
                           zFract="0.28779658"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.10005"
                           xFract="-0.01185427"
                           y3="2.08818"
                           yFract="0.24741469"
                           z3="8.63282"
                           zFract="0.38851575"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01712"
                           xFract="0.00202844"
                           y3="4.22605"
                           yFract="0.50071682"
                           z3="6.39345"
                           zFract="0.28773402"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21242"
                           xFract="0.4991019"
                           y3="6.33659"
                           yFract="0.75078081"
                           z3="4.31822"
                           zFract="0.19433933"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32135"
                           xFract="0.74897512"
                           y3="4.23056"
                           yFract="0.50125118"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12315"
                           xFract="0.25155806"
                           y3="-0.02582"
                           yFract="-0.00305924"
                           z3="4.24536"
                           zFract="0.19106031"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03954"
                           xFract="-0.00468483"
                           y3="2.13135"
                           yFract="0.25252962"
                           z3="4.23985"
                           zFract="0.19081233"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0008"
                           xFract="-0.00009479"
                           y3="6.35394"
                           yFract="0.75283649"
                           z3="8.56318"
                           zFract="0.38538164"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06326"
                           xFract="0.24446209"
                           y3="2.10441"
                           yFract="0.24933768"
                           z3="6.21968"
                           zFract="0.27991359"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00573"
                           xFract="-0.00067891"
                           y3="6.31557"
                           yFract="0.74829028"
                           z3="4.30203"
                           zFract="0.19361071"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10291"
                           xFract="0.24915995"
                           y3="4.30764"
                           yFract="0.51038389"
                           z3="8.45663"
                           zFract="0.38058641"/>
                     <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="-0.00849"
                           xFract="-0.00100592"
                           y3="2.08205"
                           yFract="0.24668839"
                           z3="6.31004"
                           zFract="0.2839802"/>
                     <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="2.11911"
                           xFract="0.25107938"
                           y3="0.06371"
                           yFract="0.00754858"
                           z3="6.34142"
                           zFract="0.28539244"/>
                     <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="-0.03908"
                           xFract="-0.00463033"
                           y3="-0.01836"
                           yFract="-0.00217536"
                           z3="4.27357"
                           zFract="0.19232988"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05533"
                           xFract="-0.00655569"
                           y3="0.04416"
                           yFract="0.00523223"
                           z3="8.52785"
                           zFract="0.38379163"/>
                     <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="2.14564"
                           xFract="0.25422275"
                           y3="2.14608"
                           yFract="0.25427488"
                           z3="4.13326"
                           zFract="0.1860153"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.26968"
                           xFract="0.26891943"
                           y3="1.96837"
                           yFract="0.23321919"
                           z3="9.11303"
                           zFract="0.41012736"/>
                     <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="4.18064"
                           xFract="0.49533649"
                           y3="2.10262"
                           yFract="0.24912559"
                           z3="6.3871"
                           zFract="0.28744824"/>
                     <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="6.31167"
                           xFract="0.7478282"
                           y3="0.09181"
                           yFract="0.01087796"
                           z3="6.38336"
                           zFract="0.28727993"/>
                     <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="4.24642"
                           xFract="0.50313033"
                           y3="0.02764"
                           yFract="0.00327488"
                           z3="4.20245"
                           zFract="0.18912916"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29716"
                           xFract="0.50914218"
                           y3="-0.01622"
                           yFract="-0.0019218"
                           z3="8.48902"
                           zFract="0.3820441"/>
                     <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="6.29226"
                           xFract="0.74552844"
                           y3="2.07242"
                           yFract="0.24554739"
                           z3="4.31205"
                           zFract="0.19406166"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29245"
                           xFract="0.74555095"
                           y3="2.07777"
                           yFract="0.24618128"
                           z3="8.45139"
                           zFract="0.38035059"/>
                     <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="-0.11209"
                           xFract="-0.01328081"
                           y3="6.38626"
                           yFract="0.75666588"
                           z3="6.40627"
                           zFract="0.28831098"/>
                     <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="2.13785"
                           xFract="0.25329976"
                           y3="4.15188"
                           yFract="0.49192891"
                           z3="6.36199"
                           zFract="0.28631818"/>
                     <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="0.0365"
                           xFract="0.00432464"
                           y3="4.23848"
                           yFract="0.50218957"
                           z3="4.15297"
                           zFract="0.18690234"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06708"
                           xFract="0.00794787"
                           y3="4.15065"
                           yFract="0.49178318"
                           z3="8.67551"
                           zFract="0.39043699"/>
                     <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="2.12323"
                           xFract="0.25156754"
                           y3="6.31693"
                           yFract="0.74845142"
                           z3="4.27452"
                           zFract="0.19237264"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11647"
                           xFract="0.25076659"
                           y3="6.40573"
                           yFract="0.75897275"
                           z3="8.57699"
                           zFract="0.38600315"/>
                     <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="4.3503"
                           xFract="0.51543839"
                           y3="6.32956"
                           yFract="0.74994787"
                           z3="6.47257"
                           zFract="0.29129478"/>
                     <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="6.32767"
                           xFract="0.74972393"
                           y3="4.13753"
                           yFract="0.49022867"
                           z3="6.39579"
                           zFract="0.28783933"/>
                     <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="4.19385"
                           xFract="0.49690166"
                           y3="4.18705"
                           yFract="0.49609597"
                           z3="4.30658"
                           zFract="0.19381548"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21552"
                           xFract="0.49946919"
                           y3="4.21225"
                           yFract="0.49908175"
                           z3="8.50704"
                           zFract="0.38285509"/>
                     <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="6.30779"
                           xFract="0.74736848"
                           y3="6.35742"
                           yFract="0.75324882"
                           z3="4.04904"
                           zFract="0.18222502"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35228"
                           xFract="0.75263981"
                           y3="6.3458"
                           yFract="0.75187204"
                           z3="8.72904"
                           zFract="0.39284608"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.04743"
                           xFract="0.24258649"
                           y3="2.09323"
                           yFract="0.24801303"
                           z3="10.05436"
                           zFract="0.45249145"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.32917"
                           xFract="0.74990166"
                           y3="2.08716"
                           yFract="0.24729384"
                           z3="6.37723"
                           zFract="0.28700405"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34586"
                           xFract="0.75187915"
                           y3="-0.02569"
                           yFract="-0.00304384"
                           z3="8.46589"
                           zFract="0.38100315"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20779"
                           xFract="0.49855332"
                           y3="-0.01064"
                           yFract="-0.00126066"
                           z3="6.39552"
                           zFract="0.28782718"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02011"
                           xFract="0.0023827"
                           y3="0.02406"
                           yFract="0.00285071"
                           z3="6.42568"
                           zFract="0.28918452"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.25975"
                           xFract="0.50470972"
                           y3="2.06915"
                           yFract="0.24515995"
                           z3="8.43993"
                           zFract="0.37983483"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25721"
                           xFract="0.50440877"
                           y3="6.35568"
                           yFract="0.75304265"
                           z3="8.50175"
                           zFract="0.38261701"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22748"
                           xFract="0.50088626"
                           y3="4.23473"
                           yFract="0.50174526"
                           z3="6.37108"
                           zFract="0.28672727"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12535"
                           xFract="0.25181872"
                           y3="4.25983"
                           yFract="0.50471919"
                           z3="4.21751"
                           zFract="0.18980693"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24122"
                           xFract="0.50251422"
                           y3="2.11024"
                           yFract="0.25002844"
                           z3="4.2347"
                           zFract="0.19058056"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40615"
                           xFract="0.75902251"
                           y3="4.2181"
                           yFract="0.49977488"
                           z3="8.44602"
                           zFract="0.38010891"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30848"
                           xFract="0.74745024"
                           y3="-0.01066"
                           yFract="-0.00126303"
                           z3="4.2177"
                           zFract="0.18981548"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12355"
                           xFract="0.25160545"
                           y3="-0.05338"
                           yFract="-0.00632464"
                           z3="8.69717"
                           zFract="0.39141179"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33745"
                           xFract="0.7508827"
                           y3="6.35242"
                           yFract="0.7526564"
                           z3="6.41564"
                           zFract="0.28873267"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.12998"
                           xFract="0.2523673"
                           y3="6.36866"
                           yFract="0.75458057"
                           z3="6.3951"
                           zFract="0.28780828"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.09951"
                           xFract="-0.01179028"
                           y3="2.08838"
                           yFract="0.24743839"
                           z3="8.63367"
                           zFract="0.38855401"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01658"
                           xFract="0.00196445"
                           y3="4.22551"
                           yFract="0.50065284"
                           z3="6.39388"
                           zFract="0.28775338"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21256"
                           xFract="0.49911848"
                           y3="6.33638"
                           yFract="0.75075592"
                           z3="4.31839"
                           zFract="0.19434698"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32115"
                           xFract="0.74895142"
                           y3="4.23055"
                           yFract="0.50125"
                           z3="4.2377"
                           zFract="0.19071557"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12308"
                           xFract="0.25154976"
                           y3="-0.02553"
                           yFract="-0.00302488"
                           z3="4.2456"
                           zFract="0.19107111"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03932"
                           xFract="-0.00465877"
                           y3="2.13145"
                           yFract="0.25254147"
                           z3="4.2400"
                           zFract="0.19081908"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00131"
                           xFract="-0.00015521"
                           y3="6.35327"
                           yFract="0.75275711"
                           z3="8.56365"
                           zFract="0.38540279"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06315"
                           xFract="0.24444905"
                           y3="2.10399"
                           yFract="0.24928791"
                           z3="6.21919"
                           zFract="0.27989154"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00594"
                           xFract="-0.00070379"
                           y3="6.3154"
                           yFract="0.74827014"
                           z3="4.30221"
                           zFract="0.19361881"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10261"
                           xFract="0.24912441"
                           y3="4.30799"
                           yFract="0.51042536"
                           z3="8.45757"
                           zFract="0.38062871"/>
                     <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="-0.0081"
                           xFract="-0.00095972"
                           y3="2.08257"
                           yFract="0.24675"
                           z3="6.31034"
                           zFract="0.2839937"/>
                     <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="2.11931"
                           xFract="0.25110308"
                           y3="0.06396"
                           yFract="0.0075782"
                           z3="6.34173"
                           zFract="0.28540639"/>
                     <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="-0.03927"
                           xFract="-0.00465284"
                           y3="-0.01847"
                           yFract="-0.00218839"
                           z3="4.27376"
                           zFract="0.19233843"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05567"
                           xFract="-0.00659597"
                           y3="0.04394"
                           yFract="0.00520616"
                           z3="8.52831"
                           zFract="0.38381233"/>
                     <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="2.14587"
                           xFract="0.25425"
                           y3="2.14594"
                           yFract="0.25425829"
                           z3="4.13381"
                           zFract="0.18604005"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.27042"
                           xFract="0.26900711"
                           y3="1.96822"
                           yFract="0.23320142"
                           z3="9.1140"
                           zFract="0.41017102"/>
                     <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="4.1804"
                           xFract="0.49530806"
                           y3="2.10289"
                           yFract="0.24915758"
                           z3="6.38796"
                           zFract="0.28748695"/>
                     <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="6.31157"
                           xFract="0.74781635"
                           y3="0.09206"
                           yFract="0.01090758"
                           z3="6.38392"
                           zFract="0.28730513"/>
                     <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="4.24657"
                           xFract="0.5031481"
                           y3="0.02738"
                           yFract="0.00324408"
                           z3="4.20247"
                           zFract="0.18913006"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2974"
                           xFract="0.50917062"
                           y3="-0.01602"
                           yFract="-0.0018981"
                           z3="8.48995"
                           zFract="0.38208596"/>
                     <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="6.29221"
                           xFract="0.74552251"
                           y3="2.07256"
                           yFract="0.24556398"
                           z3="4.31323"
                           zFract="0.19411476"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29206"
                           xFract="0.74550474"
                           y3="2.07776"
                           yFract="0.24618009"
                           z3="8.45156"
                           zFract="0.38035824"/>
                     <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="-0.11208"
                           xFract="-0.01327962"
                           y3="6.3858"
                           yFract="0.75661137"
                           z3="6.40657"
                           zFract="0.28832448"/>
                     <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="2.13711"
                           xFract="0.25321209"
                           y3="4.15174"
                           yFract="0.49191232"
                           z3="6.3629"
                           zFract="0.28635914"/>
                     <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="0.03635"
                           xFract="0.00430687"
                           y3="4.23867"
                           yFract="0.50221209"
                           z3="4.15269"
                           zFract="0.18688974"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06755"
                           xFract="0.00800355"
                           y3="4.15086"
                           yFract="0.49180806"
                           z3="8.67807"
                           zFract="0.39055221"/>
                     <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="2.12326"
                           xFract="0.25157109"
                           y3="6.31691"
                           yFract="0.74844905"
                           z3="4.27493"
                           zFract="0.19239109"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11639"
                           xFract="0.25075711"
                           y3="6.40562"
                           yFract="0.75895972"
                           z3="8.5770"
                           zFract="0.3860036"/>
                     <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="4.35014"
                           xFract="0.51541943"
                           y3="6.32964"
                           yFract="0.74995735"
                           z3="6.47319"
                           zFract="0.29132268"/>
                     <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="6.32832"
                           xFract="0.74980095"
                           y3="4.13681"
                           yFract="0.49014336"
                           z3="6.39661"
                           zFract="0.28787624"/>
                     <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="4.19382"
                           xFract="0.4968981"
                           y3="4.18736"
                           yFract="0.4961327"
                           z3="4.30754"
                           zFract="0.19385869"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="4.21235"
                           yFract="0.4990936"
                           z3="8.50741"
                           zFract="0.38287174"/>
                     <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="6.30762"
                           xFract="0.74734834"
                           y3="6.35752"
                           yFract="0.75326066"
                           z3="4.04911"
                           zFract="0.18222817"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35219"
                           xFract="0.75262915"
                           y3="6.34589"
                           yFract="0.7518827"
                           z3="8.72958"
                           zFract="0.39287039"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.0522"
                           xFract="0.24315166"
                           y3="2.0913"
                           yFract="0.24778436"
                           z3="10.05567"
                           zFract="0.45255041"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33017"
                           xFract="0.75002014"
                           y3="2.08867"
                           yFract="0.24747275"
                           z3="6.38065"
                           zFract="0.28715797"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34569"
                           xFract="0.751859"
                           y3="-0.02641"
                           yFract="-0.00312915"
                           z3="8.46855"
                           zFract="0.38112286"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20685"
                           xFract="0.49844194"
                           y3="-0.01147"
                           yFract="-0.001359"
                           z3="6.39801"
                           zFract="0.28793924"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02138"
                           xFract="0.00253318"
                           y3="0.02476"
                           yFract="0.00293365"
                           z3="6.42647"
                           zFract="0.28922007"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26115"
                           xFract="0.50487559"
                           y3="2.06885"
                           yFract="0.24512441"
                           z3="8.44208"
                           zFract="0.37993159"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25774"
                           xFract="0.50447156"
                           y3="6.3552"
                           yFract="0.75298578"
                           z3="8.50383"
                           zFract="0.38271062"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22778"
                           xFract="0.5009218"
                           y3="4.23513"
                           yFract="0.50179265"
                           z3="6.37385"
                           zFract="0.28685194"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1247"
                           xFract="0.25174171"
                           y3="4.25944"
                           yFract="0.50467299"
                           z3="4.21669"
                           zFract="0.18977003"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24081"
                           xFract="0.50246564"
                           y3="2.11091"
                           yFract="0.25010782"
                           z3="4.2351"
                           zFract="0.19059856"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40729"
                           xFract="0.75915758"
                           y3="4.21781"
                           yFract="0.49974052"
                           z3="8.44966"
                           zFract="0.38027273"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3089"
                           xFract="0.7475"
                           y3="-0.01075"
                           yFract="-0.0012737"
                           z3="4.21894"
                           zFract="0.18987129"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12291"
                           xFract="0.25152962"
                           y3="-0.05327"
                           yFract="-0.00631161"
                           z3="8.70124"
                           zFract="0.39159496"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3370"
                           xFract="0.75082938"
                           y3="6.35202"
                           yFract="0.752609"
                           z3="6.41572"
                           zFract="0.28873627"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1305"
                           xFract="0.25242891"
                           y3="6.36912"
                           yFract="0.75463507"
                           z3="6.39586"
                           zFract="0.28784248"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.09791"
                           xFract="-0.01160071"
                           y3="2.0890"
                           yFract="0.24751185"
                           z3="8.63622"
                           zFract="0.38866877"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01495"
                           xFract="0.00177133"
                           y3="4.22391"
                           yFract="0.50046327"
                           z3="6.39518"
                           zFract="0.28781188"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21297"
                           xFract="0.49916706"
                           y3="6.33577"
                           yFract="0.75068365"
                           z3="4.31888"
                           zFract="0.19436904"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.32055"
                           xFract="0.74888033"
                           y3="4.2305"
                           yFract="0.50124408"
                           z3="4.23854"
                           zFract="0.19075338"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12285"
                           xFract="0.25152251"
                           y3="-0.02464"
                           yFract="-0.00291943"
                           z3="4.24632"
                           zFract="0.19110351"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03863"
                           xFract="-0.00457701"
                           y3="2.13177"
                           yFract="0.25257938"
                           z3="4.24046"
                           zFract="0.19083978"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00284"
                           xFract="-0.00033649"
                           y3="6.35127"
                           yFract="0.75252014"
                           z3="8.56505"
                           zFract="0.3854658"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06285"
                           xFract="0.24441351"
                           y3="2.10273"
                           yFract="0.24913863"
                           z3="6.2177"
                           zFract="0.27982448"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00657"
                           xFract="-0.00077844"
                           y3="6.31491"
                           yFract="0.74821209"
                           z3="4.30276"
                           zFract="0.19364356"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.10169"
                           xFract="0.2490154"
                           y3="4.30907"
                           yFract="0.51055332"
                           z3="8.46039"
                           zFract="0.38075563"/>
                     <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="-0.00695"
                           xFract="-0.00082346"
                           y3="2.08412"
                           yFract="0.24693365"
                           z3="6.31123"
                           zFract="0.28403375"/>
                     <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="2.1199"
                           xFract="0.25117299"
                           y3="0.0647"
                           yFract="0.00766588"
                           z3="6.34264"
                           zFract="0.28544734"/>
                     <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="-0.03986"
                           xFract="-0.00472275"
                           y3="-0.01878"
                           yFract="-0.00222512"
                           z3="4.27435"
                           zFract="0.19236499"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05672"
                           xFract="-0.00672038"
                           y3="0.04327"
                           yFract="0.00512678"
                           z3="8.52971"
                           zFract="0.38387534"/>
                     <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="2.14656"
                           xFract="0.25433175"
                           y3="2.14551"
                           yFract="0.25420735"
                           z3="4.13543"
                           zFract="0.18611296"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.27264"
                           xFract="0.26927014"
                           y3="1.96774"
                           yFract="0.23314455"
                           z3="9.11689"
                           zFract="0.41030108"/>
                     <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="4.17967"
                           xFract="0.49522156"
                           y3="2.10369"
                           yFract="0.24925237"
                           z3="6.39055"
                           zFract="0.28760351"/>
                     <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="6.31127"
                           xFract="0.74778081"
                           y3="0.09281"
                           yFract="0.01099645"
                           z3="6.38561"
                           zFract="0.28738119"/>
                     <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="4.24701"
                           xFract="0.50320024"
                           y3="0.02662"
                           yFract="0.00315403"
                           z3="4.20254"
                           zFract="0.18913321"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2981"
                           xFract="0.50925355"
                           y3="-0.0154"
                           yFract="-0.00182464"
                           z3="8.49274"
                           zFract="0.38221152"/>
                     <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="6.29209"
                           xFract="0.74550829"
                           y3="2.07297"
                           yFract="0.24561256"
                           z3="4.31675"
                           zFract="0.19427318"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29088"
                           xFract="0.74536493"
                           y3="2.07775"
                           yFract="0.24617891"
                           z3="8.45207"
                           zFract="0.38038119"/>
                     <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="-0.11204"
                           xFract="-0.01327488"
                           y3="6.38442"
                           yFract="0.75644787"
                           z3="6.40748"
                           zFract="0.28836544"/>
                     <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="2.13491"
                           xFract="0.25295142"
                           y3="4.15132"
                           yFract="0.49186256"
                           z3="6.36564"
                           zFract="0.28648245"/>
                     <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="0.03591"
                           xFract="0.00425474"
                           y3="4.23924"
                           yFract="0.50227962"
                           z3="4.15183"
                           zFract="0.18685104"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.06894"
                           xFract="0.00816825"
                           y3="4.15152"
                           yFract="0.49188626"
                           z3="8.68575"
                           zFract="0.39089784"/>
                     <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="2.12334"
                           xFract="0.25158057"
                           y3="6.31685"
                           yFract="0.74844194"
                           z3="4.27617"
                           zFract="0.19244689"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11615"
                           xFract="0.25072867"
                           y3="6.40528"
                           yFract="0.75891943"
                           z3="8.57705"
                           zFract="0.38600585"/>
                     <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="4.34969"
                           xFract="0.51536611"
                           y3="6.32987"
                           yFract="0.7499846"
                           z3="6.47505"
                           zFract="0.29140639"/>
                     <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="6.33028"
                           xFract="0.75003318"
                           y3="4.13465"
                           yFract="0.48988744"
                           z3="6.39909"
                           zFract="0.28798785"/>
                     <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="4.19374"
                           xFract="0.49688863"
                           y3="4.18829"
                           yFract="0.49624289"
                           z3="4.31043"
                           zFract="0.19398875"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21489"
                           xFract="0.49939455"
                           y3="4.21267"
                           yFract="0.49913152"
                           z3="8.50855"
                           zFract="0.38292304"/>
                     <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="6.30709"
                           xFract="0.74728555"
                           y3="6.35782"
                           yFract="0.75329621"
                           z3="4.04931"
                           zFract="0.18223717"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35193"
                           xFract="0.75259834"
                           y3="6.34614"
                           yFract="0.75191232"
                           z3="8.7312"
                           zFract="0.39294329"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.06176"
                           xFract="0.24428436"
                           y3="2.08745"
                           yFract="0.2473282"
                           z3="10.05829"
                           zFract="0.45266832"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33216"
                           xFract="0.75025592"
                           y3="2.0917"
                           yFract="0.24783175"
                           z3="6.3875"
                           zFract="0.28746625"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34537"
                           xFract="0.75182109"
                           y3="-0.02786"
                           yFract="-0.00330095"
                           z3="8.47388"
                           zFract="0.38136274"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20498"
                           xFract="0.49822038"
                           y3="-0.01314"
                           yFract="-0.00155687"
                           z3="6.40298"
                           zFract="0.28816292"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02391"
                           xFract="0.00283294"
                           y3="0.02616"
                           yFract="0.00309953"
                           z3="6.42804"
                           zFract="0.28929073"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26393"
                           xFract="0.50520498"
                           y3="2.06823"
                           yFract="0.24505095"
                           z3="8.44639"
                           zFract="0.38012556"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25878"
                           xFract="0.50459479"
                           y3="6.35424"
                           yFract="0.75287204"
                           z3="8.50797"
                           zFract="0.38289694"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22838"
                           xFract="0.50099289"
                           y3="4.23594"
                           yFract="0.50188863"
                           z3="6.37938"
                           zFract="0.28710081"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12339"
                           xFract="0.25158649"
                           y3="4.25866"
                           yFract="0.50458057"
                           z3="4.21504"
                           zFract="0.18969577"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23998"
                           xFract="0.5023673"
                           y3="2.11223"
                           yFract="0.25026422"
                           z3="4.23591"
                           zFract="0.19063501"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.40957"
                           xFract="0.75942773"
                           y3="4.21724"
                           yFract="0.49967299"
                           z3="8.45694"
                           zFract="0.38060036"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30974"
                           xFract="0.74759953"
                           y3="-0.01092"
                           yFract="-0.00129384"
                           z3="4.2214"
                           zFract="0.189982"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12161"
                           xFract="0.25137559"
                           y3="-0.05305"
                           yFract="-0.00628555"
                           z3="8.70939"
                           zFract="0.39196175"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33611"
                           xFract="0.75072393"
                           y3="6.35121"
                           yFract="0.75251303"
                           z3="6.41589"
                           zFract="0.28874392"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13153"
                           xFract="0.25255095"
                           y3="6.37003"
                           yFract="0.75474289"
                           z3="6.3974"
                           zFract="0.28791179"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0947"
                           xFract="-0.01122038"
                           y3="2.09024"
                           yFract="0.24765877"
                           z3="8.64131"
                           zFract="0.38889784"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.01171"
                           xFract="0.00138744"
                           y3="4.22071"
                           yFract="0.50008412"
                           z3="6.39778"
                           zFract="0.28792889"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2138"
                           xFract="0.4992654"
                           y3="6.33454"
                           yFract="0.75053791"
                           z3="4.31988"
                           zFract="0.19441404"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31935"
                           xFract="0.74873815"
                           y3="4.23041"
                           yFract="0.50123341"
                           z3="4.24023"
                           zFract="0.19082943"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12239"
                           xFract="0.25146801"
                           y3="-0.02286"
                           yFract="-0.00270853"
                           z3="4.24775"
                           zFract="0.19116787"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03727"
                           xFract="-0.00441588"
                           y3="2.13241"
                           yFract="0.25265521"
                           z3="4.24138"
                           zFract="0.19088119"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00589"
                           xFract="-0.00069787"
                           y3="6.34726"
                           yFract="0.75204502"
                           z3="8.56786"
                           zFract="0.38559226"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06223"
                           xFract="0.24434005"
                           y3="2.10022"
                           yFract="0.24884123"
                           z3="6.21474"
                           zFract="0.27969127"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00783"
                           xFract="-0.00092773"
                           y3="6.31393"
                           yFract="0.74809597"
                           z3="4.30386"
                           zFract="0.19369307"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09985"
                           xFract="0.24879739"
                           y3="4.31121"
                           yFract="0.51080687"
                           z3="8.46603"
                           zFract="0.38100945"/>
                     <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="-0.00463"
                           xFract="-0.00054858"
                           y3="2.08723"
                           yFract="0.24730213"
                           z3="6.31302"
                           zFract="0.28411431"/>
                     <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="2.12109"
                           xFract="0.25131398"
                           y3="0.0662"
                           yFract="0.0078436"
                           z3="6.34448"
                           zFract="0.28553015"/>
                     <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="-0.04104"
                           xFract="-0.00486256"
                           y3="-0.0194"
                           yFract="-0.00229858"
                           z3="4.27553"
                           zFract="0.19241809"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05881"
                           xFract="-0.00696801"
                           y3="0.04194"
                           yFract="0.00496919"
                           z3="8.5325"
                           zFract="0.3840009"/>
                     <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="2.14794"
                           xFract="0.25449526"
                           y3="2.14466"
                           yFract="0.25410664"
                           z3="4.13868"
                           zFract="0.18625923"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.27707"
                           xFract="0.26979502"
                           y3="1.96678"
                           yFract="0.23303081"
                           z3="9.12268"
                           zFract="0.41056166"/>
                     <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="4.17822"
                           xFract="0.49504976"
                           y3="2.10529"
                           yFract="0.24944194"
                           z3="6.39571"
                           zFract="0.28783573"/>
                     <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="6.31067"
                           xFract="0.74770972"
                           y3="0.09431"
                           yFract="0.01117417"
                           z3="6.38899"
                           zFract="0.2875333"/>
                     <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="4.2479"
                           xFract="0.50330569"
                           y3="0.02509"
                           yFract="0.00297275"
                           z3="4.20269"
                           zFract="0.18913996"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29951"
                           xFract="0.50942062"
                           y3="-0.01416"
                           yFract="-0.00167773"
                           z3="8.49832"
                           zFract="0.38246265"/>
                     <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="6.29183"
                           xFract="0.74547749"
                           y3="2.07379"
                           yFract="0.24570972"
                           z3="4.32379"
                           zFract="0.19459001"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28854"
                           xFract="0.74508768"
                           y3="2.07772"
                           yFract="0.24617536"
                           z3="8.45308"
                           zFract="0.38042664"/>
                     <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="-0.11197"
                           xFract="-0.01326659"
                           y3="6.38167"
                           yFract="0.75612204"
                           z3="6.40929"
                           zFract="0.28844689"/>
                     <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="2.1305"
                           xFract="0.25242891"
                           y3="4.15046"
                           yFract="0.49176066"
                           z3="6.37111"
                           zFract="0.28672862"/>
                     <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="0.03502"
                           xFract="0.00414929"
                           y3="4.24037"
                           yFract="0.50241351"
                           z3="4.15012"
                           zFract="0.18677408"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07174"
                           xFract="0.0085"
                           y3="4.15284"
                           yFract="0.49204265"
                           z3="8.70112"
                           zFract="0.39158956"/>
                     <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="2.1235"
                           xFract="0.25159953"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="4.27863"
                           zFract="0.19255761"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11567"
                           xFract="0.2506718"
                           y3="6.4046"
                           yFract="0.75883886"
                           z3="8.57713"
                           zFract="0.38600945"/>
                     <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="4.34877"
                           xFract="0.51525711"
                           y3="6.33034"
                           yFract="0.75004028"
                           z3="6.47878"
                           zFract="0.29157426"/>
                     <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="6.3342"
                           xFract="0.75049763"
                           y3="4.13032"
                           yFract="0.48937441"
                           z3="6.40405"
                           zFract="0.28821107"/>
                     <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="4.19358"
                           xFract="0.49686967"
                           y3="4.19016"
                           yFract="0.49646445"
                           z3="4.31621"
                           zFract="0.19424887"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21394"
                           xFract="0.49928199"
                           y3="4.2133"
                           yFract="0.49920616"
                           z3="8.51082"
                           zFract="0.3830252"/>
                     <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="6.30605"
                           xFract="0.74716232"
                           y3="6.35842"
                           yFract="0.7533673"
                           z3="4.04972"
                           zFract="0.18225563"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35142"
                           xFract="0.75253791"
                           y3="6.34663"
                           yFract="0.75197038"
                           z3="8.73443"
                           zFract="0.39308866"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a4 a53" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.08086"
                           xFract="0.24654739"
                           y3="2.07973"
                           yFract="0.24641351"
                           z3="10.06352"
                           zFract="0.45290369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33614"
                           xFract="0.75072749"
                           y3="2.09777"
                           yFract="0.24855095"
                           z3="6.40119"
                           zFract="0.28808236"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34471"
                           xFract="0.75174289"
                           y3="-0.03076"
                           yFract="-0.00364455"
                           z3="8.48454"
                           zFract="0.38184248"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20122"
                           xFract="0.49777488"
                           y3="-0.01647"
                           yFract="-0.00195142"
                           z3="6.41293"
                           zFract="0.28861071"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02898"
                           xFract="0.00343365"
                           y3="0.02896"
                           yFract="0.00343128"
                           z3="6.43119"
                           zFract="0.28943249"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2695"
                           xFract="0.50586493"
                           y3="2.06701"
                           yFract="0.2449064"
                           z3="8.4550"
                           zFract="0.38051305"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26088"
                           xFract="0.5048436"
                           y3="6.35232"
                           yFract="0.75264455"
                           z3="8.51626"
                           zFract="0.38327003"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22957"
                           xFract="0.50113389"
                           y3="4.23756"
                           yFract="0.50208057"
                           z3="6.39045"
                           zFract="0.28759901"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12077"
                           xFract="0.25127607"
                           y3="4.25711"
                           yFract="0.50439692"
                           z3="4.21176"
                           zFract="0.18954815"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23834"
                           xFract="0.50217299"
                           y3="2.11487"
                           yFract="0.25057701"
                           z3="4.23752"
                           zFract="0.19070747"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.41413"
                           xFract="0.75996801"
                           y3="4.21609"
                           yFract="0.49953673"
                           z3="8.47149"
                           zFract="0.38125518"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3114"
                           xFract="0.74779621"
                           y3="-0.01127"
                           yFract="-0.00133531"
                           z3="4.22634"
                           zFract="0.19020432"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11902"
                           xFract="0.25106872"
                           y3="-0.05262"
                           yFract="-0.0062346"
                           z3="8.72569"
                           zFract="0.39269532"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33434"
                           xFract="0.75051422"
                           y3="6.3496"
                           yFract="0.75232227"
                           z3="6.41623"
                           zFract="0.28875923"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1336"
                           xFract="0.25279621"
                           y3="6.37186"
                           yFract="0.75495972"
                           z3="6.40046"
                           zFract="0.2880495"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.08829"
                           xFract="-0.0104609"
                           y3="2.09271"
                           yFract="0.24795142"
                           z3="8.65149"
                           zFract="0.38935599"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00521"
                           xFract="0.0006173"
                           y3="4.21431"
                           yFract="0.49932583"
                           z3="6.40298"
                           zFract="0.28816292"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21546"
                           xFract="0.49946209"
                           y3="6.33208"
                           yFract="0.75024645"
                           z3="4.32188"
                           zFract="0.19450405"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31695"
                           xFract="0.74845379"
                           y3="4.23024"
                           yFract="0.50121327"
                           z3="4.24359"
                           zFract="0.19098065"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12147"
                           xFract="0.251359"
                           y3="-0.01929"
                           yFract="-0.00228555"
                           z3="4.25061"
                           zFract="0.19129658"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03453"
                           xFract="-0.00409123"
                           y3="2.13369"
                           yFract="0.25280687"
                           z3="4.24322"
                           zFract="0.190964"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0120"
                           xFract="-0.0014218"
                           y3="6.33924"
                           yFract="0.75109479"
                           z3="8.57346"
                           zFract="0.38584428"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.0610"
                           xFract="0.24419431"
                           y3="2.0952"
                           yFract="0.24824645"
                           z3="6.20882"
                           zFract="0.27942484"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01036"
                           xFract="-0.00122749"
                           y3="6.31197"
                           yFract="0.74786374"
                           z3="4.30606"
                           zFract="0.19379208"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09617"
                           xFract="0.24836137"
                           y3="4.3155"
                           yFract="0.51131517"
                           z3="8.47731"
                           zFract="0.3815171"/>
                     <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="-0.00001"
                           xFract="-0.00000118"
                           y3="2.09343"
                           yFract="0.24803673"
                           z3="6.3166"
                           zFract="0.28427543"/>
                     <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="2.12347"
                           xFract="0.25159597"
                           y3="0.06918"
                           yFract="0.00819668"
                           z3="6.34815"
                           zFract="0.28569532"/>
                     <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="-0.04341"
                           xFract="-0.00514336"
                           y3="-0.02065"
                           yFract="-0.00244668"
                           z3="4.27789"
                           zFract="0.1925243"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06299"
                           xFract="-0.00746327"
                           y3="0.03927"
                           yFract="0.00465284"
                           z3="8.53808"
                           zFract="0.38425203"/>
                     <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="2.1507"
                           xFract="0.25482227"
                           y3="2.14296"
                           yFract="0.25390521"
                           z3="4.14517"
                           zFract="0.18655131"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.28595"
                           xFract="0.27084716"
                           y3="1.96486"
                           yFract="0.23280332"
                           z3="9.13426"
                           zFract="0.41108281"/>
                     <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="4.17531"
                           xFract="0.49470498"
                           y3="2.1085"
                           yFract="0.24982227"
                           z3="6.40605"
                           zFract="0.28830108"/>
                     <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="6.30947"
                           xFract="0.74756754"
                           y3="0.09732"
                           yFract="0.01153081"
                           z3="6.39574"
                           zFract="0.28783708"/>
                     <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="4.24967"
                           xFract="0.5035154"
                           y3="0.02203"
                           yFract="0.00261019"
                           z3="4.20297"
                           zFract="0.18915257"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30232"
                           xFract="0.50975355"
                           y3="-0.01168"
                           yFract="-0.00138389"
                           z3="8.50948"
                           zFract="0.3829649"/>
                     <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="6.29131"
                           xFract="0.74541588"
                           y3="2.07543"
                           yFract="0.24590403"
                           z3="4.33787"
                           zFract="0.19522367"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28385"
                           xFract="0.74453199"
                           y3="2.07766"
                           yFract="0.24616825"
                           z3="8.45511"
                           zFract="0.380518"/>
                     <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="-0.11181"
                           xFract="-0.01324763"
                           y3="6.37616"
                           yFract="0.75546919"
                           z3="6.41292"
                           zFract="0.28861026"/>
                     <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="2.12167"
                           xFract="0.2513827"
                           y3="4.14876"
                           yFract="0.49155924"
                           z3="6.38207"
                           zFract="0.28722187"/>
                     <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="0.03325"
                           xFract="0.00393957"
                           y3="4.24265"
                           yFract="0.50268365"
                           z3="4.1467"
                           zFract="0.18662016"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07732"
                           xFract="0.00916114"
                           y3="4.15546"
                           yFract="0.49235308"
                           z3="8.73186"
                           zFract="0.392973"/>
                     <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="2.12382"
                           xFract="0.25163744"
                           y3="6.3165"
                           yFract="0.74840047"
                           z3="4.28357"
                           zFract="0.19277993"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11471"
                           xFract="0.25055806"
                           y3="6.40324"
                           yFract="0.75867773"
                           z3="8.5773"
                           zFract="0.3860171"/>
                     <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="4.34695"
                           xFract="0.51504147"
                           y3="6.33127"
                           yFract="0.75015047"
                           z3="6.48622"
                           zFract="0.29190909"/>
                     <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="6.34203"
                           xFract="0.75142536"
                           y3="4.12168"
                           yFract="0.48835071"
                           z3="6.41397"
                           zFract="0.28865752"/>
                     <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="4.19327"
                           xFract="0.49683294"
                           y3="4.1939"
                           yFract="0.49690758"
                           z3="4.32777"
                           zFract="0.19476913"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21205"
                           xFract="0.49905806"
                           y3="4.21456"
                           yFract="0.49935545"
                           z3="8.51535"
                           zFract="0.38322907"/>
                     <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="6.30397"
                           xFract="0.74691588"
                           y3="6.35961"
                           yFract="0.75350829"
                           z3="4.05054"
                           zFract="0.18229253"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35038"
                           xFract="0.75241469"
                           y3="6.34763"
                           yFract="0.75208886"
                           z3="8.7409"
                           zFract="0.39337984"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.08229"
                           xFract="0.24671682"
                           y3="2.07924"
                           yFract="0.24635545"
                           z3="10.06542"
                           zFract="0.4529892"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33638"
                           xFract="0.75075592"
                           y3="2.09807"
                           yFract="0.24858649"
                           z3="6.40224"
                           zFract="0.28812961"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34469"
                           xFract="0.75174052"
                           y3="-0.03102"
                           yFract="-0.00367536"
                           z3="8.48544"
                           zFract="0.38188299"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20102"
                           xFract="0.49775118"
                           y3="-0.01662"
                           yFract="-0.00196919"
                           z3="6.41384"
                           zFract="0.28865167"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02931"
                           xFract="0.00347275"
                           y3="0.02914"
                           yFract="0.00345261"
                           z3="6.43156"
                           zFract="0.28944914"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.26991"
                           xFract="0.50591351"
                           y3="2.06697"
                           yFract="0.24490166"
                           z3="8.45573"
                           zFract="0.3805459"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26104"
                           xFract="0.50486256"
                           y3="6.35221"
                           yFract="0.75263152"
                           z3="8.51697"
                           zFract="0.38330198"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22963"
                           xFract="0.501141"
                           y3="4.23766"
                           yFract="0.50209242"
                           z3="6.39144"
                           zFract="0.28764356"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12054"
                           xFract="0.25124882"
                           y3="4.2570"
                           yFract="0.50438389"
                           z3="4.21167"
                           zFract="0.1895441"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23822"
                           xFract="0.50215877"
                           y3="2.11505"
                           yFract="0.25059834"
                           z3="4.23777"
                           zFract="0.19071872"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4145"
                           xFract="0.76001185"
                           y3="4.21603"
                           yFract="0.49952962"
                           z3="8.4728"
                           zFract="0.38131413"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31155"
                           xFract="0.74781398"
                           y3="-0.01126"
                           yFract="-0.00133412"
                           z3="4.22677"
                           zFract="0.19022367"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11882"
                           xFract="0.25104502"
                           y3="-0.05257"
                           yFract="-0.00622867"
                           z3="8.72706"
                           zFract="0.39275698"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3342"
                           xFract="0.75049763"
                           y3="6.3495"
                           yFract="0.75231043"
                           z3="6.41635"
                           zFract="0.28876463"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13376"
                           xFract="0.25281517"
                           y3="6.37198"
                           yFract="0.75497393"
                           z3="6.40074"
                           zFract="0.28806211"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.08772"
                           xFract="-0.01039336"
                           y3="2.09291"
                           yFract="0.24797512"
                           z3="8.65247"
                           zFract="0.38940009"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00475"
                           xFract="0.0005628"
                           y3="4.21381"
                           yFract="0.49926659"
                           z3="6.40349"
                           zFract="0.28818587"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21555"
                           xFract="0.49947275"
                           y3="6.33191"
                           yFract="0.7502263"
                           z3="4.32206"
                           zFract="0.19451215"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3168"
                           xFract="0.74843602"
                           y3="4.23022"
                           yFract="0.5012109"
                           z3="4.24387"
                           zFract="0.19099325"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12141"
                           xFract="0.2513519"
                           y3="-0.0191"
                           yFract="-0.00226303"
                           z3="4.25083"
                           zFract="0.19130648"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03438"
                           xFract="-0.00407346"
                           y3="2.13381"
                           yFract="0.25282109"
                           z3="4.24339"
                           zFract="0.19097165"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0125"
                           xFract="-0.00148104"
                           y3="6.33859"
                           yFract="0.75101777"
                           z3="8.57395"
                           zFract="0.38586634"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06108"
                           xFract="0.24420379"
                           y3="2.0949"
                           yFract="0.2482109"
                           z3="6.20846"
                           zFract="0.27940864"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01054"
                           xFract="-0.00124882"
                           y3="6.31182"
                           yFract="0.74784597"
                           z3="4.30626"
                           zFract="0.19380108"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09586"
                           xFract="0.24832464"
                           y3="4.31578"
                           yFract="0.51134834"
                           z3="8.4783"
                           zFract="0.38156166"/>
                     <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="0.00034"
                           xFract="0.00004028"
                           y3="2.09395"
                           yFract="0.24809834"
                           z3="6.31695"
                           zFract="0.28429118"/>
                     <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="2.1236"
                           xFract="0.25161137"
                           y3="0.06937"
                           yFract="0.00821919"
                           z3="6.34846"
                           zFract="0.28570927"/>
                     <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="-0.04354"
                           xFract="-0.00515877"
                           y3="-0.02071"
                           yFract="-0.00245379"
                           z3="4.27818"
                           zFract="0.19253735"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06332"
                           xFract="-0.00750237"
                           y3="0.03902"
                           yFract="0.00462322"
                           z3="8.53857"
                           zFract="0.38427408"/>
                     <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="2.15095"
                           xFract="0.2548519"
                           y3="2.14289"
                           yFract="0.25389692"
                           z3="4.14566"
                           zFract="0.18657336"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.28702"
                           xFract="0.27097393"
                           y3="1.96438"
                           yFract="0.23274645"
                           z3="9.13385"
                           zFract="0.41106436"/>
                     <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="4.17504"
                           xFract="0.49467299"
                           y3="2.10871"
                           yFract="0.24984716"
                           z3="6.40687"
                           zFract="0.28833798"/>
                     <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="6.30942"
                           xFract="0.74756161"
                           y3="0.09759"
                           yFract="0.0115628"
                           z3="6.3964"
                           zFract="0.28786679"/>
                     <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="4.24979"
                           xFract="0.50352962"
                           y3="0.02179"
                           yFract="0.00258175"
                           z3="4.20304"
                           zFract="0.18915572"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30259"
                           xFract="0.50978555"
                           y3="-0.0116"
                           yFract="-0.00137441"
                           z3="8.5105"
                           zFract="0.3830108"/>
                     <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="6.29127"
                           xFract="0.74541114"
                           y3="2.0756"
                           yFract="0.24592417"
                           z3="4.3391"
                           zFract="0.19527903"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28355"
                           xFract="0.74449645"
                           y3="2.07762"
                           yFract="0.24616351"
                           z3="8.45545"
                           zFract="0.3805333"/>
                     <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="-0.11186"
                           xFract="-0.01325355"
                           y3="6.37561"
                           yFract="0.75540403"
                           z3="6.41328"
                           zFract="0.28862646"/>
                     <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="2.12076"
                           xFract="0.25127488"
                           y3="4.14866"
                           yFract="0.49154739"
                           z3="6.3830"
                           zFract="0.28726373"/>
                     <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="0.0331"
                           xFract="0.0039218"
                           y3="4.24278"
                           yFract="0.50269905"
                           z3="4.14628"
                           zFract="0.18660126"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07772"
                           xFract="0.00920853"
                           y3="4.1557"
                           yFract="0.49238152"
                           z3="8.73478"
                           zFract="0.39310441"/>
                     <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="2.12388"
                           xFract="0.25164455"
                           y3="6.3165"
                           yFract="0.74840047"
                           z3="4.28402"
                           zFract="0.19280018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11461"
                           xFract="0.25054621"
                           y3="6.40327"
                           yFract="0.75868128"
                           z3="8.57737"
                           zFract="0.38602025"/>
                     <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="4.34683"
                           xFract="0.51502725"
                           y3="6.33135"
                           yFract="0.75015995"
                           z3="6.48694"
                           zFract="0.29194149"/>
                     <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="6.34271"
                           xFract="0.75150592"
                           y3="4.12105"
                           yFract="0.48827607"
                           z3="6.41489"
                           zFract="0.28869892"/>
                     <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="4.19325"
                           xFract="0.49683057"
                           y3="4.19422"
                           yFract="0.4969455"
                           z3="4.32886"
                           zFract="0.19481818"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21192"
                           xFract="0.49904265"
                           y3="4.21463"
                           yFract="0.49936374"
                           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="6.30378"
                           xFract="0.74689336"
                           y3="6.35964"
                           yFract="0.75351185"
                           z3="4.05067"
                           zFract="0.18229838"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35036"
                           xFract="0.75241232"
                           y3="6.34775"
                           yFract="0.75210308"
                           z3="8.74148"
                           zFract="0.39340594"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.08659"
                           xFract="0.2472263"
                           y3="2.07776"
                           yFract="0.24618009"
                           z3="10.07112"
                           zFract="0.45324572"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33711"
                           xFract="0.75084242"
                           y3="2.09898"
                           yFract="0.24869431"
                           z3="6.40538"
                           zFract="0.28827093"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34463"
                           xFract="0.75173341"
                           y3="-0.03179"
                           yFract="-0.00376659"
                           z3="8.48812"
                           zFract="0.3820036"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20043"
                           xFract="0.49768128"
                           y3="-0.01705"
                           yFract="-0.00202014"
                           z3="6.41657"
                           zFract="0.28877453"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03031"
                           xFract="0.00359123"
                           y3="0.02968"
                           yFract="0.00351659"
                           z3="6.43269"
                           zFract="0.2895"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27111"
                           xFract="0.50605569"
                           y3="2.06686"
                           yFract="0.24488863"
                           z3="8.45793"
                           zFract="0.38064491"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26154"
                           xFract="0.5049218"
                           y3="6.35189"
                           yFract="0.7525936"
                           z3="8.51908"
                           zFract="0.38339694"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22982"
                           xFract="0.50116351"
                           y3="4.23795"
                           yFract="0.50212678"
                           z3="6.39439"
                           zFract="0.28777633"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11985"
                           xFract="0.25116706"
                           y3="4.25668"
                           yFract="0.50434597"
                           z3="4.21141"
                           zFract="0.1895324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23788"
                           xFract="0.50211848"
                           y3="2.11559"
                           yFract="0.25066232"
                           z3="4.23855"
                           zFract="0.19075383"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.41562"
                           xFract="0.76014455"
                           y3="4.21586"
                           yFract="0.49950948"
                           z3="8.47674"
                           zFract="0.38149145"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31197"
                           xFract="0.74786374"
                           y3="-0.01123"
                           yFract="-0.00133057"
                           z3="4.22804"
                           zFract="0.19028083"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1182"
                           xFract="0.25097156"
                           y3="-0.05244"
                           yFract="-0.00621327"
                           z3="8.73118"
                           zFract="0.39294239"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33381"
                           xFract="0.75045142"
                           y3="6.3492"
                           yFract="0.75227488"
                           z3="6.41668"
                           zFract="0.28877948"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13421"
                           xFract="0.25286848"
                           y3="6.37231"
                           yFract="0.75501303"
                           z3="6.40157"
                           zFract="0.28809946"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0860"
                           xFract="-0.01018957"
                           y3="2.09351"
                           yFract="0.24804621"
                           z3="8.65541"
                           zFract="0.3895324"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00335"
                           xFract="0.00039692"
                           y3="4.2123"
                           yFract="0.49908768"
                           z3="6.40501"
                           zFract="0.28825428"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2158"
                           xFract="0.49950237"
                           y3="6.33141"
                           yFract="0.75016706"
                           z3="4.32261"
                           zFract="0.1945369"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31635"
                           xFract="0.7483827"
                           y3="4.23018"
                           yFract="0.50120616"
                           z3="4.2447"
                           zFract="0.1910306"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12124"
                           xFract="0.25133175"
                           y3="-0.01852"
                           yFract="-0.00219431"
                           z3="4.25147"
                           zFract="0.19133528"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03394"
                           xFract="-0.00402133"
                           y3="2.13419"
                           yFract="0.25286611"
                           z3="4.24389"
                           zFract="0.19099415"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01401"
                           xFract="-0.00165995"
                           y3="6.33662"
                           yFract="0.75078436"
                           z3="8.57541"
                           zFract="0.38593204"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06131"
                           xFract="0.24423104"
                           y3="2.09401"
                           yFract="0.24810545"
                           z3="6.20741"
                           zFract="0.27936139"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0111"
                           xFract="-0.00131517"
                           y3="6.31135"
                           yFract="0.74779028"
                           z3="4.30683"
                           zFract="0.19382673"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0949"
                           xFract="0.2482109"
                           y3="4.31661"
                           yFract="0.51144668"
                           z3="8.48127"
                           zFract="0.38169532"/>
                     <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="0.0014"
                           xFract="0.00016588"
                           y3="2.0955"
                           yFract="0.24828199"
                           z3="6.31801"
                           zFract="0.28433888"/>
                     <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="2.12399"
                           xFract="0.25165758"
                           y3="0.06992"
                           yFract="0.00828436"
                           z3="6.3494"
                           zFract="0.28575158"/>
                     <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="-0.04396"
                           xFract="-0.00520853"
                           y3="-0.02087"
                           yFract="-0.00247275"
                           z3="4.27906"
                           zFract="0.19257696"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06433"
                           xFract="-0.00762204"
                           y3="0.03825"
                           yFract="0.00453199"
                           z3="8.54005"
                           zFract="0.38434068"/>
                     <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="2.15168"
                           xFract="0.25493839"
                           y3="2.14267"
                           yFract="0.25387085"
                           z3="4.1471"
                           zFract="0.18663816"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29023"
                           xFract="0.27135427"
                           y3="1.96296"
                           yFract="0.2325782"
                           z3="9.1326"
                           zFract="0.4110081"/>
                     <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="4.17425"
                           xFract="0.49457938"
                           y3="2.10932"
                           yFract="0.24991943"
                           z3="6.40933"
                           zFract="0.28844869"/>
                     <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="6.30927"
                           xFract="0.74754384"
                           y3="0.09841"
                           yFract="0.01165995"
                           z3="6.39837"
                           zFract="0.28795545"/>
                     <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="4.25014"
                           xFract="0.50357109"
                           y3="0.02107"
                           yFract="0.00249645"
                           z3="4.20324"
                           zFract="0.18916472"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30339"
                           xFract="0.50988033"
                           y3="-0.01136"
                           yFract="-0.00134597"
                           z3="8.51357"
                           zFract="0.38314896"/>
                     <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="6.29113"
                           xFract="0.74539455"
                           y3="2.07608"
                           yFract="0.24598104"
                           z3="4.3428"
                           zFract="0.19544554"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28265"
                           xFract="0.74438981"
                           y3="2.07749"
                           yFract="0.2461481"
                           z3="8.45645"
                           zFract="0.38057831"/>
                     <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="-0.11201"
                           xFract="-0.01327133"
                           y3="6.37393"
                           yFract="0.75520498"
                           z3="6.41436"
                           zFract="0.28867507"/>
                     <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="2.11801"
                           xFract="0.25094905"
                           y3="4.14836"
                           yFract="0.49151185"
                           z3="6.38582"
                           zFract="0.28739064"/>
                     <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="0.03263"
                           xFract="0.00386611"
                           y3="4.24315"
                           yFract="0.50274289"
                           z3="4.1450"
                           zFract="0.18654365"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0789"
                           xFract="0.00934834"
                           y3="4.1564"
                           yFract="0.49246445"
                           z3="8.74357"
                           zFract="0.3935"/>
                     <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="2.12407"
                           xFract="0.25166706"
                           y3="6.31653"
                           yFract="0.74840403"
                           z3="4.28538"
                           zFract="0.19286139"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1143"
                           xFract="0.25050948"
                           y3="6.40335"
                           yFract="0.75869076"
                           z3="8.57757"
                           zFract="0.38602925"/>
                     <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="4.3465"
                           xFract="0.51498815"
                           y3="6.33157"
                           yFract="0.75018602"
                           z3="6.48908"
                           zFract="0.2920378"/>
                     <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="6.34475"
                           xFract="0.75174763"
                           y3="4.11917"
                           yFract="0.48805332"
                           z3="6.41766"
                           zFract="0.28882358"/>
                     <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="4.1932"
                           xFract="0.49682464"
                           y3="4.19516"
                           yFract="0.49705687"
                           z3="4.33214"
                           zFract="0.1949658"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21151"
                           xFract="0.49899408"
                           y3="4.21484"
                           yFract="0.49938863"
                           z3="8.51743"
                           zFract="0.38332268"/>
                     <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="6.3032"
                           xFract="0.74682464"
                           y3="6.35974"
                           yFract="0.7535237"
                           z3="4.05106"
                           zFract="0.18231593"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35027"
                           xFract="0.75240166"
                           y3="6.34813"
                           yFract="0.7521481"
                           z3="8.74322"
                           zFract="0.39348425"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09518"
                           xFract="0.24824408"
                           y3="2.0748"
                           yFract="0.24582938"
                           z3="10.08253"
                           zFract="0.45375923"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33857"
                           xFract="0.7510154"
                           y3="2.10078"
                           yFract="0.24890758"
                           z3="6.41167"
                           zFract="0.28855401"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3445"
                           xFract="0.75171801"
                           y3="-0.03334"
                           yFract="-0.00395024"
                           z3="8.49349"
                           zFract="0.38224527"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.19926"
                           xFract="0.49754265"
                           y3="-0.01793"
                           yFract="-0.00212441"
                           z3="6.42203"
                           zFract="0.28902025"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03231"
                           xFract="0.0038282"
                           y3="0.03076"
                           yFract="0.00364455"
                           z3="6.43493"
                           zFract="0.28960081"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27353"
                           xFract="0.50634242"
                           y3="2.06663"
                           yFract="0.24486137"
                           z3="8.46232"
                           zFract="0.38084248"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26253"
                           xFract="0.5050391"
                           y3="6.35125"
                           yFract="0.75251777"
                           z3="8.52331"
                           zFract="0.38358731"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2302"
                           xFract="0.50120853"
                           y3="4.23852"
                           yFract="0.50219431"
                           z3="6.40029"
                           zFract="0.28804185"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11848"
                           xFract="0.25100474"
                           y3="4.25603"
                           yFract="0.50426896"
                           z3="4.21088"
                           zFract="0.18950855"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23718"
                           xFract="0.50203555"
                           y3="2.11665"
                           yFract="0.25078791"
                           z3="4.24009"
                           zFract="0.19082313"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.41787"
                           xFract="0.76041114"
                           y3="4.21552"
                           yFract="0.49946919"
                           z3="8.48462"
                           zFract="0.38184608"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31282"
                           xFract="0.74796445"
                           y3="-0.01118"
                           yFract="-0.00132464"
                           z3="4.23059"
                           zFract="0.19039559"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11696"
                           xFract="0.25082464"
                           y3="-0.05217"
                           yFract="-0.00618128"
                           z3="8.73942"
                           zFract="0.39331323"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33301"
                           xFract="0.75035664"
                           y3="6.34859"
                           yFract="0.75220261"
                           z3="6.41736"
                           zFract="0.28881008"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13512"
                           xFract="0.2529763"
                           y3="6.37299"
                           yFract="0.7550936"
                           z3="6.40323"
                           zFract="0.28817417"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.08258"
                           xFract="-0.00978436"
                           y3="2.0947"
                           yFract="0.2481872"
                           z3="8.66129"
                           zFract="0.38979703"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00055"
                           xFract="0.00006517"
                           y3="4.2093"
                           yFract="0.49873223"
                           z3="6.40806"
                           zFract="0.28839154"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2163"
                           xFract="0.49956161"
                           y3="6.33039"
                           yFract="0.75004621"
                           z3="4.3237"
                           zFract="0.19458596"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31544"
                           xFract="0.74827488"
                           y3="4.2301"
                           yFract="0.50119668"
                           z3="4.24638"
                           zFract="0.19110621"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12089"
                           xFract="0.25129028"
                           y3="-0.01736"
                           yFract="-0.00205687"
                           z3="4.25276"
                           zFract="0.19139334"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03305"
                           xFract="-0.00391588"
                           y3="2.13495"
                           yFract="0.25295616"
                           z3="4.24489"
                           zFract="0.19103915"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01702"
                           xFract="-0.00201659"
                           y3="6.33268"
                           yFract="0.75031754"
                           z3="8.57833"
                           zFract="0.38606346"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06178"
                           xFract="0.24428673"
                           y3="2.09224"
                           yFract="0.24789573"
                           z3="6.20529"
                           zFract="0.27926598"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01221"
                           xFract="-0.00144668"
                           y3="6.31041"
                           yFract="0.74767891"
                           z3="4.30799"
                           zFract="0.19387894"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0930"
                           xFract="0.24798578"
                           y3="4.31827"
                           yFract="0.51164336"
                           z3="8.48721"
                           zFract="0.38196265"/>
                     <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="0.00353"
                           xFract="0.00041825"
                           y3="2.09861"
                           yFract="0.24865047"
                           z3="6.32012"
                           zFract="0.28443384"/>
                     <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="2.12476"
                           xFract="0.25174882"
                           y3="0.07102"
                           yFract="0.00841469"
                           z3="6.35127"
                           zFract="0.28583573"/>
                     <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="-0.04479"
                           xFract="-0.00530687"
                           y3="-0.0212"
                           yFract="-0.00251185"
                           z3="4.28082"
                           zFract="0.19265617"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06634"
                           xFract="-0.00786019"
                           y3="0.03672"
                           yFract="0.00435071"
                           z3="8.54299"
                           zFract="0.384473"/>
                     <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="2.15316"
                           xFract="0.25511374"
                           y3="2.14223"
                           yFract="0.25381872"
                           z3="4.14999"
                           zFract="0.18676823"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29666"
                           xFract="0.27211611"
                           y3="1.9601"
                           yFract="0.23223934"
                           z3="9.1301"
                           zFract="0.41089559"/>
                     <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="4.17265"
                           xFract="0.49438981"
                           y3="2.11054"
                           yFract="0.25006398"
                           z3="6.41425"
                           zFract="0.28867012"/>
                     <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="6.30896"
                           xFract="0.74750711"
                           y3="0.10005"
                           yFract="0.01185427"
                           z3="6.40231"
                           zFract="0.28813276"/>
                     <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="4.25085"
                           xFract="0.50365521"
                           y3="0.01962"
                           yFract="0.00232464"
                           z3="4.20363"
                           zFract="0.18918227"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30499"
                           xFract="0.51006991"
                           y3="-0.01088"
                           yFract="-0.0012891"
                           z3="8.51971"
                           zFract="0.38342529"/>
                     <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="6.29086"
                           xFract="0.74536256"
                           y3="2.07706"
                           yFract="0.24609716"
                           z3="4.3502"
                           zFract="0.19577858"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28085"
                           xFract="0.74417654"
                           y3="2.07722"
                           yFract="0.24611611"
                           z3="8.45846"
                           zFract="0.38066877"/>
                     <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="-0.1123"
                           xFract="-0.01330569"
                           y3="6.37059"
                           yFract="0.75480924"
                           z3="6.41653"
                           zFract="0.28877273"/>
                     <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="2.11251"
                           xFract="0.25029739"
                           y3="4.14777"
                           yFract="0.49144194"
                           z3="6.39144"
                           zFract="0.28764356"/>
                     <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="0.03171"
                           xFract="0.00375711"
                           y3="4.24391"
                           yFract="0.50283294"
                           z3="4.14244"
                           zFract="0.18642844"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08126"
                           xFract="0.00962796"
                           y3="4.15782"
                           yFract="0.4926327"
                           z3="8.76113"
                           zFract="0.39429028"/>
                     <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="2.12444"
                           xFract="0.2517109"
                           y3="6.31658"
                           yFract="0.74840995"
                           z3="4.2881"
                           zFract="0.1929838"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11369"
                           xFract="0.2504372"
                           y3="6.40351"
                           yFract="0.75870972"
                           z3="8.57797"
                           zFract="0.38604725"/>
                     <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="4.34582"
                           xFract="0.51490758"
                           y3="6.33201"
                           yFract="0.75023815"
                           z3="6.49336"
                           zFract="0.29223042"/>
                     <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="6.34882"
                           xFract="0.75222986"
                           y3="4.11541"
                           yFract="0.48760782"
                           z3="6.42319"
                           zFract="0.28907246"/>
                     <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="4.1931"
                           xFract="0.4968128"
                           y3="4.19704"
                           yFract="0.49727962"
                           z3="4.33869"
                           zFract="0.19526058"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21071"
                           xFract="0.49889929"
                           y3="4.21526"
                           yFract="0.49943839"
                           z3="8.52053"
                           zFract="0.3834622"/>
                     <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="6.30206"
                           xFract="0.74668957"
                           y3="6.35993"
                           yFract="0.75354621"
                           z3="4.05185"
                           zFract="0.18235149"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35011"
                           xFract="0.7523827"
                           y3="6.34888"
                           yFract="0.75223697"
                           z3="8.74671"
                           zFract="0.39364131"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.09741"
                           xFract="0.24850829"
                           y3="2.07411"
                           yFract="0.24574763"
                           z3="10.08381"
                           zFract="0.45381683"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33841"
                           xFract="0.75099645"
                           y3="2.10023"
                           yFract="0.24884242"
                           z3="6.4124"
                           zFract="0.28858686"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34461"
                           xFract="0.75173104"
                           y3="-0.03358"
                           yFract="-0.00397867"
                           z3="8.49443"
                           zFract="0.38228758"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.19949"
                           xFract="0.49756991"
                           y3="-0.01755"
                           yFract="-0.00207938"
                           z3="6.42327"
                           zFract="0.28907606"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0323"
                           xFract="0.00382701"
                           y3="0.03071"
                           yFract="0.00363863"
                           z3="6.43578"
                           zFract="0.28963906"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27368"
                           xFract="0.50636019"
                           y3="2.0668"
                           yFract="0.24488152"
                           z3="8.46305"
                           zFract="0.38087534"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26259"
                           xFract="0.50504621"
                           y3="6.35134"
                           yFract="0.75252844"
                           z3="8.52412"
                           zFract="0.38362376"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23002"
                           xFract="0.5011872"
                           y3="4.23844"
                           yFract="0.50218483"
                           z3="6.40155"
                           zFract="0.28809856"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11826"
                           xFract="0.25097867"
                           y3="4.2561"
                           yFract="0.50427725"
                           z3="4.21147"
                           zFract="0.1895351"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23731"
                           xFract="0.50205095"
                           y3="2.11668"
                           yFract="0.25079147"
                           z3="4.24083"
                           zFract="0.19085644"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.41825"
                           xFract="0.76045616"
                           y3="4.21552"
                           yFract="0.49946919"
                           z3="8.48633"
                           zFract="0.38192304"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31287"
                           xFract="0.74797038"
                           y3="-0.01097"
                           yFract="-0.00129976"
                           z3="4.2311"
                           zFract="0.19041854"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11678"
                           xFract="0.25080332"
                           y3="-0.05232"
                           yFract="-0.00619905"
                           z3="8.74088"
                           zFract="0.39337894"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33293"
                           xFract="0.75034716"
                           y3="6.34862"
                           yFract="0.75220616"
                           z3="6.41779"
                           zFract="0.28882943"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1352"
                           xFract="0.25298578"
                           y3="6.37294"
                           yFract="0.75508768"
                           z3="6.40365"
                           zFract="0.28819307"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.08192"
                           xFract="-0.00970616"
                           y3="2.09485"
                           yFract="0.24820498"
                           z3="8.66278"
                           zFract="0.38986409"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0004"
                           xFract="0.00004739"
                           y3="4.20894"
                           yFract="0.49868957"
                           z3="6.40887"
                           zFract="0.28842799"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21619"
                           xFract="0.49954858"
                           y3="6.33036"
                           yFract="0.75004265"
                           z3="4.32393"
                           zFract="0.19459631"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31544"
                           xFract="0.74827488"
                           y3="4.23004"
                           yFract="0.50118957"
                           z3="4.24663"
                           zFract="0.19111746"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12094"
                           xFract="0.25129621"
                           y3="-0.01762"
                           yFract="-0.00208768"
                           z3="4.2529"
                           zFract="0.19139964"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03329"
                           xFract="-0.00394431"
                           y3="2.13517"
                           yFract="0.25298223"
                           z3="4.24509"
                           zFract="0.19104815"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01738"
                           xFract="-0.00205924"
                           y3="6.33208"
                           yFract="0.75024645"
                           z3="8.57894"
                           zFract="0.38609091"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06253"
                           xFract="0.24437559"
                           y3="2.09248"
                           yFract="0.24792417"
                           z3="6.20571"
                           zFract="0.27928488"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01228"
                           xFract="-0.00145498"
                           y3="6.31027"
                           yFract="0.74766232"
                           z3="4.30824"
                           zFract="0.19389019"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0927"
                           xFract="0.24795024"
                           y3="4.31826"
                           yFract="0.51164218"
                           z3="8.48843"
                           zFract="0.38201755"/>
                     <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="0.00377"
                           xFract="0.00044668"
                           y3="2.09912"
                           yFract="0.2487109"
                           z3="6.32069"
                           zFract="0.2844595"/>
                     <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="2.12461"
                           xFract="0.25173104"
                           y3="0.07087"
                           yFract="0.00839692"
                           z3="6.35163"
                           zFract="0.28585194"/>
                     <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="-0.04472"
                           xFract="-0.00529858"
                           y3="-0.02108"
                           yFract="-0.00249763"
                           z3="4.28147"
                           zFract="0.19268542"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06665"
                           xFract="-0.00789692"
                           y3="0.03642"
                           yFract="0.00431517"
                           z3="8.54361"
                           zFract="0.3845009"/>
                     <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="2.15341"
                           xFract="0.25514336"
                           y3="2.14242"
                           yFract="0.25384123"
                           z3="4.15001"
                           zFract="0.18676913"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29746"
                           xFract="0.2722109"
                           y3="1.95927"
                           yFract="0.232141"
                           z3="9.1310"
                           zFract="0.41093609"/>
                     <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="4.17233"
                           xFract="0.4943519"
                           y3="2.11053"
                           yFract="0.2500628"
                           z3="6.41492"
                           zFract="0.28870027"/>
                     <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="6.30907"
                           xFract="0.74752014"
                           y3="0.10046"
                           yFract="0.01190284"
                           z3="6.40335"
                           zFract="0.28817957"/>
                     <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="4.25084"
                           xFract="0.50365403"
                           y3="0.01938"
                           yFract="0.00229621"
                           z3="4.20385"
                           zFract="0.18919217"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30544"
                           xFract="0.51012322"
                           y3="-0.01133"
                           yFract="-0.00134242"
                           z3="8.52109"
                           zFract="0.3834874"/>
                     <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="6.29083"
                           xFract="0.745359"
                           y3="2.07732"
                           yFract="0.24612796"
                           z3="4.35171"
                           zFract="0.19584653"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28112"
                           xFract="0.74420853"
                           y3="2.07707"
                           yFract="0.24609834"
                           z3="8.45946"
                           zFract="0.38071377"/>
                     <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="-0.11257"
                           xFract="-0.01333768"
                           y3="6.36964"
                           yFract="0.75469668"
                           z3="6.41706"
                           zFract="0.28879658"/>
                     <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="2.1110"
                           xFract="0.25011848"
                           y3="4.14781"
                           yFract="0.49144668"
                           z3="6.39246"
                           zFract="0.28768947"/>
                     <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="0.03155"
                           xFract="0.00373815"
                           y3="4.24379"
                           yFract="0.50281872"
                           z3="4.1416"
                           zFract="0.18639064"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08131"
                           xFract="0.00963389"
                           y3="4.15806"
                           yFract="0.49266114"
                           z3="8.76541"
                           zFract="0.3944829"/>
                     <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="2.12461"
                           xFract="0.25173104"
                           y3="6.31668"
                           yFract="0.7484218"
                           z3="4.28874"
                           zFract="0.1930126"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11353"
                           xFract="0.25041825"
                           y3="6.40414"
                           yFract="0.75878436"
                           z3="8.57822"
                           zFract="0.38605851"/>
                     <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="4.34589"
                           xFract="0.51491588"
                           y3="6.33204"
                           yFract="0.75024171"
                           z3="6.49446"
                           zFract="0.29227993"/>
                     <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="6.3496"
                           xFract="0.75232227"
                           y3="4.11517"
                           yFract="0.48757938"
                           z3="6.42458"
                           zFract="0.28913501"/>
                     <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="4.19307"
                           xFract="0.49680924"
                           y3="4.19739"
                           yFract="0.49732109"
                           z3="4.34028"
                           zFract="0.19533213"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21073"
                           xFract="0.49890166"
                           y3="4.21529"
                           yFract="0.49944194"
                           z3="8.52164"
                           zFract="0.38351215"/>
                     <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="6.30183"
                           xFract="0.74666232"
                           y3="6.35973"
                           yFract="0.75352251"
                           z3="4.0522"
                           zFract="0.18236724"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3502"
                           xFract="0.75239336"
                           y3="6.34907"
                           yFract="0.75225948"
                           z3="8.74753"
                           zFract="0.39367822"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a70" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.10412"
                           xFract="0.24930332"
                           y3="2.07203"
                           yFract="0.24550118"
                           z3="10.08766"
                           zFract="0.4539901"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33795"
                           xFract="0.75094194"
                           y3="2.09857"
                           yFract="0.24864573"
                           z3="6.4146"
                           zFract="0.28868587"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34493"
                           xFract="0.75176896"
                           y3="-0.03429"
                           yFract="-0.0040628"
                           z3="8.49724"
                           zFract="0.38241404"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20019"
                           xFract="0.49765284"
                           y3="-0.01643"
                           yFract="-0.00194668"
                           z3="6.42698"
                           zFract="0.28924302"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03227"
                           xFract="0.00382346"
                           y3="0.03056"
                           yFract="0.00362085"
                           z3="6.43833"
                           zFract="0.28975383"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27414"
                           xFract="0.50641469"
                           y3="2.0673"
                           yFract="0.24494076"
                           z3="8.46522"
                           zFract="0.380973"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2628"
                           xFract="0.50507109"
                           y3="6.3516"
                           yFract="0.75255924"
                           z3="8.52655"
                           zFract="0.38373312"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22948"
                           xFract="0.50112322"
                           y3="4.23819"
                           yFract="0.50215521"
                           z3="6.40531"
                           zFract="0.28826778"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1176"
                           xFract="0.25090047"
                           y3="4.25633"
                           yFract="0.5043045"
                           z3="4.21327"
                           zFract="0.18961611"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23769"
                           xFract="0.50209597"
                           y3="2.11676"
                           yFract="0.25080095"
                           z3="4.24307"
                           zFract="0.19095725"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4194"
                           xFract="0.76059242"
                           y3="4.21552"
                           yFract="0.49946919"
                           z3="8.49148"
                           zFract="0.38215482"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31304"
                           xFract="0.74799052"
                           y3="-0.01037"
                           yFract="-0.00122867"
                           z3="4.23266"
                           zFract="0.19048875"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11626"
                           xFract="0.25074171"
                           y3="-0.05274"
                           yFract="-0.00624882"
                           z3="8.74525"
                           zFract="0.39357561"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33268"
                           xFract="0.75031754"
                           y3="6.3487"
                           yFract="0.75221564"
                           z3="6.41907"
                           zFract="0.28888704"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13543"
                           xFract="0.25301303"
                           y3="6.37281"
                           yFract="0.75507227"
                           z3="6.40489"
                           zFract="0.28824887"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07997"
                           xFract="-0.00947512"
                           y3="2.0953"
                           yFract="0.24825829"
                           z3="8.66725"
                           zFract="0.39006526"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00003"
                           xFract="-0.00000355"
                           y3="4.20786"
                           yFract="0.49856161"
                           z3="6.4113"
                           zFract="0.28853735"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21585"
                           xFract="0.49950829"
                           y3="6.33028"
                           yFract="0.75003318"
                           z3="4.32463"
                           zFract="0.19462781"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31544"
                           xFract="0.74827488"
                           y3="4.22985"
                           yFract="0.50116706"
                           z3="4.24738"
                           zFract="0.19115122"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12109"
                           xFract="0.25131398"
                           y3="-0.01839"
                           yFract="-0.00217891"
                           z3="4.25331"
                           zFract="0.19141809"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03402"
                           xFract="-0.00403081"
                           y3="2.13584"
                           yFract="0.25306161"
                           z3="4.2457"
                           zFract="0.19107561"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01844"
                           xFract="-0.00218483"
                           y3="6.33028"
                           yFract="0.75003318"
                           z3="8.58075"
                           zFract="0.38617237"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06479"
                           xFract="0.24464336"
                           y3="2.09321"
                           yFract="0.24801066"
                           z3="6.20695"
                           zFract="0.27934068"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01249"
                           xFract="-0.00147986"
                           y3="6.30985"
                           yFract="0.74761256"
                           z3="4.30902"
                           zFract="0.19392529"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09181"
                           xFract="0.24784479"
                           y3="4.31826"
                           yFract="0.51164218"
                           z3="8.49207"
                           zFract="0.38218137"/>
                     <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="0.00452"
                           xFract="0.00053555"
                           y3="2.10065"
                           yFract="0.24889218"
                           z3="6.32242"
                           zFract="0.28453735"/>
                     <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="2.12419"
                           xFract="0.25168128"
                           y3="0.0704"
                           yFract="0.00834123"
                           z3="6.35269"
                           zFract="0.28589964"/>
                     <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="-0.0445"
                           xFract="-0.00527251"
                           y3="-0.02072"
                           yFract="-0.00245498"
                           z3="4.28342"
                           zFract="0.19277318"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06759"
                           xFract="-0.00800829"
                           y3="0.03552"
                           yFract="0.00420853"
                           z3="8.54547"
                           zFract="0.38458461"/>
                     <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="2.15418"
                           xFract="0.2552346"
                           y3="2.14298"
                           yFract="0.25390758"
                           z3="4.15004"
                           zFract="0.18677048"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29985"
                           xFract="0.27249408"
                           y3="1.95676"
                           yFract="0.2318436"
                           z3="9.1337"
                           zFract="0.41105761"/>
                     <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="4.17134"
                           xFract="0.4942346"
                           y3="2.11047"
                           yFract="0.25005569"
                           z3="6.41694"
                           zFract="0.28879118"/>
                     <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="6.3094"
                           xFract="0.74755924"
                           y3="0.10169"
                           yFract="0.01204858"
                           z3="6.40645"
                           zFract="0.28831908"/>
                     <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="4.25079"
                           xFract="0.5036481"
                           y3="0.01866"
                           yFract="0.0022109"
                           z3="4.20452"
                           zFract="0.18922232"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30679"
                           xFract="0.51028318"
                           y3="-0.01269"
                           yFract="-0.00150355"
                           z3="8.52524"
                           zFract="0.38367417"/>
                     <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="6.29074"
                           xFract="0.74534834"
                           y3="2.07811"
                           yFract="0.24622156"
                           z3="4.35621"
                           zFract="0.19604905"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28194"
                           xFract="0.74430569"
                           y3="2.07662"
                           yFract="0.24604502"
                           z3="8.46244"
                           zFract="0.38084788"/>
                     <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="-0.11336"
                           xFract="-0.01343128"
                           y3="6.36681"
                           yFract="0.75436137"
                           z3="6.41868"
                           zFract="0.28886949"/>
                     <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="2.10648"
                           xFract="0.24958294"
                           y3="4.14794"
                           yFract="0.49146209"
                           z3="6.39552"
                           zFract="0.28782718"/>
                     <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="0.03107"
                           xFract="0.00368128"
                           y3="4.24344"
                           yFract="0.50277725"
                           z3="4.13908"
                           zFract="0.18627723"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08145"
                           xFract="0.00965047"
                           y3="4.15879"
                           yFract="0.49274763"
                           z3="8.77827"
                           zFract="0.39506166"/>
                     <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="2.12512"
                           xFract="0.25179147"
                           y3="6.31698"
                           yFract="0.74845735"
                           z3="4.29067"
                           zFract="0.19309946"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11303"
                           xFract="0.250359"
                           y3="6.40602"
                           yFract="0.75900711"
                           z3="8.57895"
                           zFract="0.38609136"/>
                     <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="4.3461"
                           xFract="0.51494076"
                           y3="6.33211"
                           yFract="0.75025"
                           z3="6.49775"
                           zFract="0.29242799"/>
                     <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="6.35196"
                           xFract="0.7526019"
                           y3="4.11446"
                           yFract="0.48749526"
                           z3="6.42875"
                           zFract="0.28932268"/>
                     <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="4.19296"
                           xFract="0.49679621"
                           y3="4.19846"
                           yFract="0.49744787"
                           z3="4.34505"
                           zFract="0.1955468"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21076"
                           xFract="0.49890521"
                           y3="4.2154"
                           yFract="0.49945498"
                           z3="8.52497"
                           zFract="0.38366202"/>
                     <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="6.30113"
                           xFract="0.74657938"
                           y3="6.35913"
                           yFract="0.75345142"
                           z3="4.05326"
                           zFract="0.18241494"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35045"
                           xFract="0.75242299"
                           y3="6.34964"
                           yFract="0.75232701"
                           z3="8.74998"
                           zFract="0.39378848"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a73" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.11754"
                           xFract="0.25089336"
                           y3="2.06787"
                           yFract="0.24500829"
                           z3="10.09535"
                           zFract="0.45433618"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33704"
                           xFract="0.75083412"
                           y3="2.09524"
                           yFract="0.24825118"
                           z3="6.41898"
                           zFract="0.28888299"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34558"
                           xFract="0.75184597"
                           y3="-0.03571"
                           yFract="-0.00423104"
                           z3="8.50287"
                           zFract="0.38266742"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20159"
                           xFract="0.49781872"
                           y3="-0.01418"
                           yFract="-0.00168009"
                           z3="6.4344"
                           zFract="0.28957696"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0322"
                           xFract="0.00381517"
                           y3="0.03025"
                           yFract="0.00358412"
                           z3="6.44344"
                           zFract="0.2899838"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27505"
                           xFract="0.50652251"
                           y3="2.0683"
                           yFract="0.24505924"
                           z3="8.46956"
                           zFract="0.38116832"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26322"
                           xFract="0.50512085"
                           y3="6.35213"
                           yFract="0.75262204"
                           z3="8.53141"
                           zFract="0.38395185"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2284"
                           xFract="0.50099526"
                           y3="4.2377"
                           yFract="0.50209716"
                           z3="6.41284"
                           zFract="0.28860666"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11628"
                           xFract="0.25074408"
                           y3="4.25678"
                           yFract="0.50435782"
                           z3="4.21687"
                           zFract="0.18977813"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23845"
                           xFract="0.50218602"
                           y3="2.11693"
                           yFract="0.25082109"
                           z3="4.24753"
                           zFract="0.19115797"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4217"
                           xFract="0.76086493"
                           y3="4.21553"
                           yFract="0.49947038"
                           z3="8.50178"
                           zFract="0.38261836"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31337"
                           xFract="0.74802962"
                           y3="-0.00917"
                           yFract="-0.00108649"
                           z3="4.23576"
                           zFract="0.19062826"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11521"
                           xFract="0.2506173"
                           y3="-0.0536"
                           yFract="-0.00635071"
                           z3="8.75398"
                           zFract="0.3939685"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33218"
                           xFract="0.75025829"
                           y3="6.34886"
                           yFract="0.7522346"
                           z3="6.42164"
                           zFract="0.2890027"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13588"
                           xFract="0.25306635"
                           y3="6.37254"
                           yFract="0.75504028"
                           z3="6.40737"
                           zFract="0.28836049"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07606"
                           xFract="-0.00901185"
                           y3="2.09618"
                           yFract="0.24836256"
                           z3="8.67619"
                           zFract="0.3904676"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00089"
                           xFract="-0.00010545"
                           y3="4.2057"
                           yFract="0.49830569"
                           z3="6.41615"
                           zFract="0.28875563"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21518"
                           xFract="0.49942891"
                           y3="6.33011"
                           yFract="0.75001303"
                           z3="4.32602"
                           zFract="0.19469037"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31545"
                           xFract="0.74827607"
                           y3="4.22948"
                           yFract="0.50112322"
                           z3="4.24887"
                           zFract="0.19121827"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12138"
                           xFract="0.25134834"
                           y3="-0.01995"
                           yFract="-0.00236374"
                           z3="4.25414"
                           zFract="0.19145545"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03547"
                           xFract="-0.00420261"
                           y3="2.13717"
                           yFract="0.25321919"
                           z3="4.24691"
                           zFract="0.19113006"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.02058"
                           xFract="-0.00243839"
                           y3="6.32667"
                           yFract="0.74960545"
                           z3="8.58439"
                           zFract="0.38633618"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.06932"
                           xFract="0.24518009"
                           y3="2.09467"
                           yFract="0.24818365"
                           z3="6.20943"
                           zFract="0.2794523"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01292"
                           xFract="-0.00153081"
                           y3="6.30901"
                           yFract="0.74751303"
                           z3="4.31057"
                           zFract="0.19399505"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09002"
                           xFract="0.2476327"
                           y3="4.31825"
                           yFract="0.511641"
                           z3="8.49935"
                           zFract="0.382509"/>
                     <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="0.0060"
                           xFract="0.0007109"
                           y3="2.10372"
                           yFract="0.24925592"
                           z3="6.32588"
                           zFract="0.28469307"/>
                     <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="2.12333"
                           xFract="0.25157938"
                           y3="0.06946"
                           yFract="0.00822986"
                           z3="6.35481"
                           zFract="0.28599505"/>
                     <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="-0.04407"
                           xFract="-0.00522156"
                           y3="-0.02001"
                           yFract="-0.00237085"
                           z3="4.28733"
                           zFract="0.19294914"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06947"
                           xFract="-0.00823104"
                           y3="0.03372"
                           yFract="0.00399526"
                           z3="8.5492"
                           zFract="0.38475248"/>
                     <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="2.1557"
                           xFract="0.25541469"
                           y3="2.1441"
                           yFract="0.25404028"
                           z3="4.15012"
                           zFract="0.18677408"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30464"
                           xFract="0.27306161"
                           y3="1.95174"
                           yFract="0.23124882"
                           z3="9.1391"
                           zFract="0.41130063"/>
                     <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="4.16937"
                           xFract="0.49400118"
                           y3="2.11036"
                           yFract="0.25004265"
                           z3="6.42096"
                           zFract="0.2889721"/>
                     <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="6.31006"
                           xFract="0.74763744"
                           y3="0.10417"
                           yFract="0.01234242"
                           z3="6.41266"
                           zFract="0.28859856"/>
                     <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="4.2507"
                           xFract="0.50363744"
                           y3="0.01722"
                           yFract="0.00204028"
                           z3="4.20585"
                           zFract="0.18928218"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.30949"
                           xFract="0.51060308"
                           y3="-0.01541"
                           yFract="-0.00182583"
                           z3="8.53354"
                           zFract="0.3840477"/>
                     <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="6.29055"
                           xFract="0.74532583"
                           y3="2.07968"
                           yFract="0.24640758"
                           z3="4.36523"
                           zFract="0.196455"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28356"
                           xFract="0.74449763"
                           y3="2.07573"
                           yFract="0.24593957"
                           z3="8.4684"
                           zFract="0.38111611"/>
                     <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="-0.11495"
                           xFract="-0.01361967"
                           y3="6.36114"
                           yFract="0.75368957"
                           z3="6.4219"
                           zFract="0.2890144"/>
                     <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="2.09743"
                           xFract="0.24851066"
                           y3="4.1482"
                           yFract="0.49149289"
                           z3="6.40163"
                           zFract="0.28810216"/>
                     <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="0.0301"
                           xFract="0.00356635"
                           y3="4.24275"
                           yFract="0.5026955"
                           z3="4.13403"
                           zFract="0.18604995"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08174"
                           xFract="0.00968483"
                           y3="4.16024"
                           yFract="0.49291943"
                           z3="8.80398"
                           zFract="0.39621872"/>
                     <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="2.12613"
                           xFract="0.25191114"
                           y3="6.31757"
                           yFract="0.74852725"
                           z3="4.29453"
                           zFract="0.19327318"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11205"
                           xFract="0.25024289"
                           y3="6.4098"
                           yFract="0.75945498"
                           z3="8.58042"
                           zFract="0.38615752"/>
                     <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="4.34652"
                           xFract="0.51499052"
                           y3="6.33225"
                           yFract="0.75026659"
                           z3="6.50434"
                           zFract="0.29272457"/>
                     <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="6.35666"
                           xFract="0.75315877"
                           y3="4.11303"
                           yFract="0.48732583"
                           z3="6.43709"
                           zFract="0.28969802"/>
                     <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="4.19276"
                           xFract="0.49677251"
                           y3="4.2006"
                           yFract="0.49770142"
                           z3="4.35458"
                           zFract="0.1959757"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21084"
                           xFract="0.49891469"
                           y3="4.21562"
                           yFract="0.49948104"
                           z3="8.53163"
                           zFract="0.38396175"/>
                     <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="6.29972"
                           xFract="0.74641232"
                           y3="6.35793"
                           yFract="0.75330924"
                           z3="4.05537"
                           zFract="0.1825099"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35095"
                           xFract="0.75248223"
                           y3="6.35079"
                           yFract="0.75246327"
                           z3="8.75489"
                           zFract="0.39400945"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.14438"
                           xFract="0.25407346"
                           y3="2.05955"
                           yFract="0.24402251"
                           z3="10.11074"
                           zFract="0.4550288"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3352"
                           xFract="0.75061611"
                           y3="2.08859"
                           yFract="0.24746327"
                           z3="6.42776"
                           zFract="0.28927813"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34686"
                           xFract="0.75199763"
                           y3="-0.03854"
                           yFract="-0.00456635"
                           z3="8.51414"
                           zFract="0.38317462"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2044"
                           xFract="0.49815166"
                           y3="-0.00968"
                           yFract="-0.00114692"
                           z3="6.44923"
                           zFract="0.29024437"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03205"
                           xFract="0.00379739"
                           y3="0.02965"
                           yFract="0.00351303"
                           z3="6.45365"
                           zFract="0.29044329"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27689"
                           xFract="0.50674052"
                           y3="2.0703"
                           yFract="0.24529621"
                           z3="8.47824"
                           zFract="0.38155896"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26405"
                           xFract="0.50521919"
                           y3="6.35319"
                           yFract="0.75274763"
                           z3="8.54112"
                           zFract="0.38438884"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22625"
                           xFract="0.50074052"
                           y3="4.23671"
                           yFract="0.50197986"
                           z3="6.4279"
                           zFract="0.28928443"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11365"
                           xFract="0.25043246"
                           y3="4.25769"
                           yFract="0.50446564"
                           z3="4.22406"
                           zFract="0.19010171"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23998"
                           xFract="0.5023673"
                           y3="2.11726"
                           yFract="0.25086019"
                           z3="4.25647"
                           zFract="0.19156031"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4263"
                           xFract="0.76140995"
                           y3="4.21555"
                           yFract="0.49947275"
                           z3="8.52237"
                           zFract="0.383545"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31402"
                           xFract="0.74810664"
                           y3="-0.00677"
                           yFract="-0.00080213"
                           z3="4.24197"
                           zFract="0.19090774"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11312"
                           xFract="0.25036967"
                           y3="-0.0553"
                           yFract="-0.00655213"
                           z3="8.77146"
                           zFract="0.39475518"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33119"
                           xFract="0.750141"
                           y3="6.34919"
                           yFract="0.7522737"
                           z3="6.42679"
                           zFract="0.28923447"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13679"
                           xFract="0.25317417"
                           y3="6.3720"
                           yFract="0.7549763"
                           z3="6.41234"
                           zFract="0.28858416"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06825"
                           xFract="-0.00808649"
                           y3="2.09796"
                           yFract="0.24857346"
                           z3="8.69406"
                           zFract="0.39127183"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00262"
                           xFract="-0.00031043"
                           y3="4.20137"
                           yFract="0.49779265"
                           z3="6.42586"
                           zFract="0.28919262"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21383"
                           xFract="0.49926896"
                           y3="6.32976"
                           yFract="0.74997156"
                           z3="4.3288"
                           zFract="0.19481548"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31547"
                           xFract="0.74827844"
                           y3="4.22875"
                           yFract="0.50103673"
                           z3="4.25187"
                           zFract="0.19135329"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12197"
                           xFract="0.25141825"
                           y3="-0.02306"
                           yFract="-0.00273223"
                           z3="4.25579"
                           zFract="0.1915297"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03838"
                           xFract="-0.00454739"
                           y3="2.13984"
                           yFract="0.25353555"
                           z3="4.24933"
                           zFract="0.19123897"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.02484"
                           xFract="-0.00294313"
                           y3="6.31946"
                           yFract="0.74875118"
                           z3="8.59167"
                           zFract="0.38666382"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07836"
                           xFract="0.24625118"
                           y3="2.09759"
                           yFract="0.24852962"
                           z3="6.2144"
                           zFract="0.27967597"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01376"
                           xFract="-0.00163033"
                           y3="6.30732"
                           yFract="0.7473128"
                           z3="4.31367"
                           zFract="0.19413456"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08644"
                           xFract="0.24720853"
                           y3="4.31823"
                           yFract="0.51163863"
                           z3="8.51391"
                           zFract="0.38316427"/>
                     <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="0.00897"
                           xFract="0.0010628"
                           y3="2.10986"
                           yFract="0.24998341"
                           z3="6.3328"
                           zFract="0.2850045"/>
                     <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="2.12162"
                           xFract="0.25137678"
                           y3="0.06759"
                           yFract="0.00800829"
                           z3="6.35905"
                           zFract="0.28618587"/>
                     <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="-0.04321"
                           xFract="-0.00511967"
                           y3="-0.01859"
                           yFract="-0.00220261"
                           z3="4.29515"
                           zFract="0.19330108"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.07323"
                           xFract="-0.00867654"
                           y3="0.03012"
                           yFract="0.00356872"
                           z3="8.55665"
                           zFract="0.38508776"/>
                     <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="2.15876"
                           xFract="0.25577725"
                           y3="2.14634"
                           yFract="0.25430569"
                           z3="4.15028"
                           zFract="0.18678128"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31422"
                           xFract="0.27419668"
                           y3="1.9417"
                           yFract="0.23005924"
                           z3="9.14989"
                           zFract="0.41178623"/>
                     <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="4.16544"
                           xFract="0.49353555"
                           y3="2.11015"
                           yFract="0.25001777"
                           z3="6.42902"
                           zFract="0.28933483"/>
                     <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="6.31137"
                           xFract="0.74779265"
                           y3="0.10911"
                           yFract="0.01292773"
                           z3="6.42508"
                           zFract="0.28915752"/>
                     <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="4.25053"
                           xFract="0.5036173"
                           y3="0.01435"
                           yFract="0.00170024"
                           z3="4.2085"
                           zFract="0.18940144"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31488"
                           xFract="0.51124171"
                           y3="-0.02084"
                           yFract="-0.00246919"
                           z3="8.55014"
                           zFract="0.38479478"/>
                     <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="6.29018"
                           xFract="0.74528199"
                           y3="2.08284"
                           yFract="0.24678199"
                           z3="4.38326"
                           zFract="0.19726643"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28682"
                           xFract="0.74488389"
                           y3="2.07394"
                           yFract="0.24572749"
                           z3="8.48033"
                           zFract="0.38165302"/>
                     <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="-0.11814"
                           xFract="-0.01399763"
                           y3="6.3498"
                           yFract="0.75234597"
                           z3="6.42835"
                           zFract="0.28930468"/>
                     <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="2.07935"
                           xFract="0.24636848"
                           y3="4.14873"
                           yFract="0.49155569"
                           z3="6.41385"
                           zFract="0.28865212"/>
                     <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="0.02816"
                           xFract="0.00333649"
                           y3="4.24137"
                           yFract="0.50253199"
                           z3="4.12394"
                           zFract="0.18559586"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08232"
                           xFract="0.00975355"
                           y3="4.16315"
                           yFract="0.49326422"
                           z3="8.8554"
                           zFract="0.39853285"/>
                     <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="2.12816"
                           xFract="0.25215166"
                           y3="6.31877"
                           yFract="0.74866943"
                           z3="4.30224"
                           zFract="0.19362016"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11007"
                           xFract="0.25000829"
                           y3="6.41736"
                           yFract="0.76035071"
                           z3="8.58336"
                           zFract="0.38628983"/>
                     <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="4.34736"
                           xFract="0.51509005"
                           y3="6.33253"
                           yFract="0.75029976"
                           z3="6.51752"
                           zFract="0.29331773"/>
                     <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="6.36607"
                           xFract="0.7542737"
                           y3="4.11016"
                           yFract="0.48698578"
                           z3="6.45376"
                           zFract="0.29044824"/>
                     <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="4.19236"
                           xFract="0.49672512"
                           y3="4.20486"
                           yFract="0.49820616"
                           z3="4.37366"
                           zFract="0.19683438"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21099"
                           xFract="0.49893246"
                           y3="4.21606"
                           yFract="0.49953318"
                           z3="8.54494"
                           zFract="0.38456076"/>
                     <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="6.29692"
                           xFract="0.74608057"
                           y3="6.35554"
                           yFract="0.75302607"
                           z3="4.0596"
                           zFract="0.18270027"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35195"
                           xFract="0.75260071"
                           y3="6.35307"
                           yFract="0.75273341"
                           z3="8.7647"
                           zFract="0.39445095"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.15046"
                           xFract="0.25479384"
                           y3="2.05771"
                           yFract="0.2438045"
                           z3="10.10513"
                           zFract="0.45477633"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33557"
                           xFract="0.75065995"
                           y3="2.08907"
                           yFract="0.24752014"
                           z3="6.42937"
                           zFract="0.28935059"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34763"
                           xFract="0.75208886"
                           y3="-0.0378"
                           yFract="-0.00447867"
                           z3="8.51589"
                           zFract="0.38325338"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20464"
                           xFract="0.49818009"
                           y3="-0.01007"
                           yFract="-0.00119313"
                           z3="6.45139"
                           zFract="0.29034158"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0313"
                           xFract="0.00370853"
                           y3="0.02886"
                           yFract="0.00341943"
                           z3="6.45663"
                           zFract="0.29057741"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27689"
                           xFract="0.50674052"
                           y3="2.06969"
                           yFract="0.24522393"
                           z3="8.47955"
                           zFract="0.38161791"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26336"
                           xFract="0.50513744"
                           y3="6.35403"
                           yFract="0.75284716"
                           z3="8.54259"
                           zFract="0.384455"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22626"
                           xFract="0.50074171"
                           y3="4.23733"
                           yFract="0.50205332"
                           z3="6.42957"
                           zFract="0.28935959"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11432"
                           xFract="0.25051185"
                           y3="4.25846"
                           yFract="0.50455687"
                           z3="4.22648"
                           zFract="0.19021062"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24058"
                           xFract="0.50243839"
                           y3="2.11695"
                           yFract="0.25082346"
                           z3="4.2577"
                           zFract="0.19161566"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42667"
                           xFract="0.76145379"
                           y3="4.21523"
                           yFract="0.49943483"
                           z3="8.52482"
                           zFract="0.38365527"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31321"
                           xFract="0.74801066"
                           y3="-0.00683"
                           yFract="-0.00080924"
                           z3="4.24196"
                           zFract="0.19090729"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1136"
                           xFract="0.25042654"
                           y3="-0.05665"
                           yFract="-0.00671209"
                           z3="8.77201"
                           zFract="0.39477993"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33064"
                           xFract="0.75007583"
                           y3="6.34887"
                           yFract="0.75223578"
                           z3="6.42946"
                           zFract="0.28935464"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13683"
                           xFract="0.25317891"
                           y3="6.3725"
                           yFract="0.75503555"
                           z3="6.41447"
                           zFract="0.28868002"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06853"
                           xFract="-0.00811967"
                           y3="2.09734"
                           yFract="0.2485"
                           z3="8.69804"
                           zFract="0.39145095"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00226"
                           xFract="-0.00026777"
                           y3="4.20162"
                           yFract="0.49782227"
                           z3="6.42809"
                           zFract="0.28929298"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21339"
                           xFract="0.49921682"
                           y3="6.33051"
                           yFract="0.75006043"
                           z3="4.32988"
                           zFract="0.19486409"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31572"
                           xFract="0.74830806"
                           y3="4.22876"
                           yFract="0.50103791"
                           z3="4.25254"
                           zFract="0.19138344"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12252"
                           xFract="0.25148341"
                           y3="-0.0240"
                           yFract="-0.0028436"
                           z3="4.25666"
                           zFract="0.19156886"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03924"
                           xFract="-0.00464929"
                           y3="2.13997"
                           yFract="0.25355095"
                           z3="4.25073"
                           zFract="0.19130198"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.02253"
                           xFract="-0.00266943"
                           y3="6.32017"
                           yFract="0.74883531"
                           z3="8.59411"
                           zFract="0.38677363"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07861"
                           xFract="0.24628081"
                           y3="2.09746"
                           yFract="0.24851422"
                           z3="6.21795"
                           zFract="0.27983573"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01337"
                           xFract="-0.00158412"
                           y3="6.30749"
                           yFract="0.74733294"
                           z3="4.31427"
                           zFract="0.19416157"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08529"
                           xFract="0.24707227"
                           y3="4.31804"
                           yFract="0.51161611"
                           z3="8.51696"
                           zFract="0.38330153"/>
                     <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="0.00904"
                           xFract="0.00107109"
                           y3="2.10993"
                           yFract="0.24999171"
                           z3="6.3349"
                           zFract="0.28509901"/>
                     <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="2.12117"
                           xFract="0.25132346"
                           y3="0.06654"
                           yFract="0.00788389"
                           z3="6.35932"
                           zFract="0.28619802"/>
                     <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="-0.04299"
                           xFract="-0.0050936"
                           y3="-0.01823"
                           yFract="-0.00215995"
                           z3="4.29741"
                           zFract="0.19340279"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.07295"
                           xFract="-0.00864336"
                           y3="0.03088"
                           yFract="0.00365877"
                           z3="8.5579"
                           zFract="0.38514401"/>
                     <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="2.15835"
                           xFract="0.25572867"
                           y3="2.1476"
                           yFract="0.25445498"
                           z3="4.14971"
                           zFract="0.18675563"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31151"
                           xFract="0.27387559"
                           y3="1.94047"
                           yFract="0.22991351"
                           z3="9.16227"
                           zFract="0.41234338"/>
                     <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="4.16527"
                           xFract="0.4935154"
                           y3="2.10978"
                           yFract="0.24997393"
                           z3="6.43024"
                           zFract="0.28938974"/>
                     <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="6.31198"
                           xFract="0.74786493"
                           y3="0.10825"
                           yFract="0.01282583"
                           z3="6.42642"
                           zFract="0.28921782"/>
                     <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="4.25052"
                           xFract="0.50361611"
                           y3="0.01491"
                           yFract="0.00176659"
                           z3="4.21007"
                           zFract="0.1894721"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31695"
                           xFract="0.51148697"
                           y3="-0.02137"
                           yFract="-0.00253199"
                           z3="8.55217"
                           zFract="0.38488614"/>
                     <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="6.28954"
                           xFract="0.74520616"
                           y3="2.08228"
                           yFract="0.24671564"
                           z3="4.38406"
                           zFract="0.19730243"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29016"
                           xFract="0.74527962"
                           y3="2.07295"
                           yFract="0.24561019"
                           z3="8.48375"
                           zFract="0.38180693"/>
                     <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="-0.11968"
                           xFract="-0.01418009"
                           y3="6.34738"
                           yFract="0.75205924"
                           z3="6.42908"
                           zFract="0.28933753"/>
                     <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="2.07843"
                           xFract="0.24625948"
                           y3="4.15056"
                           yFract="0.49177251"
                           z3="6.41578"
                           zFract="0.28873897"/>
                     <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="0.02829"
                           xFract="0.0033519"
                           y3="4.24077"
                           yFract="0.5024609"
                           z3="4.12488"
                           zFract="0.18563816"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08148"
                           xFract="0.00965403"
                           y3="4.1624"
                           yFract="0.49317536"
                           z3="8.86374"
                           zFract="0.39890819"/>
                     <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="2.12778"
                           xFract="0.25210664"
                           y3="6.31782"
                           yFract="0.74855687"
                           z3="4.30395"
                           zFract="0.19369712"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10957"
                           xFract="0.24994905"
                           y3="6.41802"
                           yFract="0.76042891"
                           z3="8.58437"
                           zFract="0.38633528"/>
                     <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="4.34876"
                           xFract="0.51525592"
                           y3="6.33249"
                           yFract="0.75029502"
                           z3="6.51975"
                           zFract="0.29341809"/>
                     <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="6.36565"
                           xFract="0.75422393"
                           y3="4.11093"
                           yFract="0.48707701"
                           z3="6.45718"
                           zFract="0.29060216"/>
                     <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="4.19204"
                           xFract="0.4966872"
                           y3="4.20454"
                           yFract="0.49816825"
                           z3="4.37764"
                           zFract="0.1970135"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21033"
                           xFract="0.49885427"
                           y3="4.21536"
                           yFract="0.49945024"
                           z3="8.54826"
                           zFract="0.38471017"/>
                     <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="6.29736"
                           xFract="0.7461327"
                           y3="6.35532"
                           yFract="0.7530"
                           z3="4.06049"
                           zFract="0.18274032"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35223"
                           xFract="0.75263389"
                           y3="6.35285"
                           yFract="0.75270735"
                           z3="8.76709"
                           zFract="0.39455851"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.52">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.14878"
                           xFract="0.25459479"
                           y3="2.05822"
                           yFract="0.24386493"
                           z3="10.10669"
                           zFract="0.45484653"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33547"
                           xFract="0.7506481"
                           y3="2.08894"
                           yFract="0.24750474"
                           z3="6.42893"
                           zFract="0.28933078"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34742"
                           xFract="0.75206398"
                           y3="-0.03801"
                           yFract="-0.00450355"
                           z3="8.51541"
                           zFract="0.38323177"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20457"
                           xFract="0.4981718"
                           y3="-0.00996"
                           yFract="-0.00118009"
                           z3="6.45079"
                           zFract="0.29031458"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03151"
                           xFract="0.00373341"
                           y3="0.02908"
                           yFract="0.0034455"
                           z3="6.4558"
                           zFract="0.29054005"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27689"
                           xFract="0.50674052"
                           y3="2.06986"
                           yFract="0.24524408"
                           z3="8.47919"
                           zFract="0.38160171"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26355"
                           xFract="0.50515995"
                           y3="6.3538"
                           yFract="0.75281991"
                           z3="8.54219"
                           zFract="0.38443699"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22626"
                           xFract="0.50074171"
                           y3="4.23716"
                           yFract="0.50203318"
                           z3="6.42911"
                           zFract="0.28933888"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11413"
                           xFract="0.25048934"
                           y3="4.25825"
                           yFract="0.50453199"
                           z3="4.22581"
                           zFract="0.19018047"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24041"
                           xFract="0.50241825"
                           y3="2.11704"
                           yFract="0.25083412"
                           z3="4.25736"
                           zFract="0.19160036"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42656"
                           xFract="0.76144076"
                           y3="4.21532"
                           yFract="0.4994455"
                           z3="8.52414"
                           zFract="0.38362466"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31343"
                           xFract="0.74803673"
                           y3="-0.00682"
                           yFract="-0.00080806"
                           z3="4.24196"
                           zFract="0.19090729"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11347"
                           xFract="0.25041114"
                           y3="-0.05628"
                           yFract="-0.00666825"
                           z3="8.77185"
                           zFract="0.39477273"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3308"
                           xFract="0.75009479"
                           y3="6.34896"
                           yFract="0.75224645"
                           z3="6.42872"
                           zFract="0.28932133"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13682"
                           xFract="0.25317773"
                           y3="6.37236"
                           yFract="0.75501896"
                           z3="6.41388"
                           zFract="0.28865347"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06846"
                           xFract="-0.00811137"
                           y3="2.09751"
                           yFract="0.24852014"
                           z3="8.69693"
                           zFract="0.39140099"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00236"
                           xFract="-0.00027962"
                           y3="4.20155"
                           yFract="0.49781398"
                           z3="6.42747"
                           zFract="0.28926508"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21351"
                           xFract="0.49923104"
                           y3="6.3303"
                           yFract="0.75003555"
                           z3="4.32958"
                           zFract="0.19485059"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31565"
                           xFract="0.74829976"
                           y3="4.22875"
                           yFract="0.50103673"
                           z3="4.25236"
                           zFract="0.19137534"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12237"
                           xFract="0.25146564"
                           y3="-0.02374"
                           yFract="-0.0028128"
                           z3="4.25642"
                           zFract="0.19155806"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0390"
                           xFract="-0.00462085"
                           y3="2.13993"
                           yFract="0.25354621"
                           z3="4.25034"
                           zFract="0.19128443"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.02317"
                           xFract="-0.00274526"
                           y3="6.31997"
                           yFract="0.74881161"
                           z3="8.59343"
                           zFract="0.38674302"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07854"
                           xFract="0.24627251"
                           y3="2.09749"
                           yFract="0.24851777"
                           z3="6.21696"
                           zFract="0.27979118"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01348"
                           xFract="-0.00159716"
                           y3="6.30744"
                           yFract="0.74732701"
                           z3="4.31411"
                           zFract="0.19415437"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08561"
                           xFract="0.24711019"
                           y3="4.31809"
                           yFract="0.51162204"
                           z3="8.51612"
                           zFract="0.38326373"/>
                     <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="0.00902"
                           xFract="0.00106872"
                           y3="2.10991"
                           yFract="0.24998934"
                           z3="6.33432"
                           zFract="0.28507291"/>
                     <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="2.1213"
                           xFract="0.25133886"
                           y3="0.06683"
                           yFract="0.00791825"
                           z3="6.35925"
                           zFract="0.28619487"/>
                     <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="-0.04305"
                           xFract="-0.00510071"
                           y3="-0.01833"
                           yFract="-0.0021718"
                           z3="4.29678"
                           zFract="0.19337444"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.07303"
                           xFract="-0.00865284"
                           y3="0.03067"
                           yFract="0.00363389"
                           z3="8.55756"
                           zFract="0.38512871"/>
                     <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="2.15846"
                           xFract="0.25574171"
                           y3="2.14725"
                           yFract="0.25441351"
                           z3="4.14986"
                           zFract="0.18676238"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31226"
                           xFract="0.27396445"
                           y3="1.94081"
                           yFract="0.22995379"
                           z3="9.15884"
                           zFract="0.41218902"/>
                     <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="4.16532"
                           xFract="0.49352133"
                           y3="2.10988"
                           yFract="0.24998578"
                           z3="6.4299"
                           zFract="0.28937444"/>
                     <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="6.31181"
                           xFract="0.74784479"
                           y3="0.10849"
                           yFract="0.01285427"
                           z3="6.42605"
                           zFract="0.28920117"/>
                     <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="4.25052"
                           xFract="0.50361611"
                           y3="0.01476"
                           yFract="0.00174882"
                           z3="4.20963"
                           zFract="0.1894523"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31637"
                           xFract="0.51141825"
                           y3="-0.02122"
                           yFract="-0.00251422"
                           z3="8.5516"
                           zFract="0.38486049"/>
                     <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="6.28971"
                           xFract="0.7452263"
                           y3="2.08244"
                           yFract="0.2467346"
                           z3="4.38384"
                           zFract="0.19729253"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28923"
                           xFract="0.74516943"
                           y3="2.07322"
                           yFract="0.24564218"
                           z3="8.4828"
                           zFract="0.38176418"/>
                     <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="-0.11925"
                           xFract="-0.01412915"
                           y3="6.34805"
                           yFract="0.75213863"
                           z3="6.42888"
                           zFract="0.28932853"/>
                     <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="2.07868"
                           xFract="0.2462891"
                           y3="4.15005"
                           yFract="0.49171209"
                           z3="6.41524"
                           zFract="0.28871467"/>
                     <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="0.02825"
                           xFract="0.00334716"
                           y3="4.24094"
                           yFract="0.50248104"
                           z3="4.12462"
                           zFract="0.18562646"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08171"
                           xFract="0.00968128"
                           y3="4.16261"
                           yFract="0.49320024"
                           z3="8.86143"
                           zFract="0.39880423"/>
                     <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="2.12789"
                           xFract="0.25211967"
                           y3="6.31808"
                           yFract="0.74858768"
                           z3="4.30348"
                           zFract="0.19367597"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="6.41784"
                           yFract="0.76040758"
                           z3="8.58409"
                           zFract="0.38632268"/>
                     <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="4.34837"
                           xFract="0.51520972"
                           y3="6.3325"
                           yFract="0.75029621"
                           z3="6.51913"
                           zFract="0.29339019"/>
                     <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="6.36576"
                           xFract="0.75423697"
                           y3="4.11072"
                           yFract="0.48705213"
                           z3="6.45623"
                           zFract="0.29055941"/>
                     <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="4.19213"
                           xFract="0.49669787"
                           y3="4.20463"
                           yFract="0.49817891"
                           z3="4.37654"
                           zFract="0.196964"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21052"
                           xFract="0.49887678"
                           y3="4.21555"
                           yFract="0.49947275"
                           z3="8.54734"
                           zFract="0.38466877"/>
                     <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="6.29724"
                           xFract="0.74611848"
                           y3="6.35538"
                           yFract="0.75300711"
                           z3="4.06024"
                           zFract="0.18272907"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35215"
                           xFract="0.75262441"
                           y3="6.35291"
                           yFract="0.75271445"
                           z3="8.76643"
                           zFract="0.3945288"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.53">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.15201"
                           xFract="0.25497749"
                           y3="2.05818"
                           yFract="0.24386019"
                           z3="10.11091"
                           zFract="0.45503645"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33629"
                           xFract="0.75074526"
                           y3="2.09041"
                           yFract="0.24767891"
                           z3="6.43041"
                           zFract="0.28939739"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34854"
                           xFract="0.75219668"
                           y3="-0.03658"
                           yFract="-0.00433412"
                           z3="8.51679"
                           zFract="0.38329388"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20462"
                           xFract="0.49817773"
                           y3="-0.01117"
                           yFract="-0.00132346"
                           z3="6.45214"
                           zFract="0.29037534"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.03037"
                           xFract="0.00359834"
                           y3="0.02801"
                           yFract="0.00331872"
                           z3="6.45889"
                           zFract="0.29067912"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27658"
                           xFract="0.50670379"
                           y3="2.06864"
                           yFract="0.24509953"
                           z3="8.48032"
                           zFract="0.38165257"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26253"
                           xFract="0.5050391"
                           y3="6.35478"
                           yFract="0.75293602"
                           z3="8.54333"
                           zFract="0.3844883"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22656"
                           xFract="0.50077725"
                           y3="4.23817"
                           yFract="0.50215284"
                           z3="6.42992"
                           zFract="0.28937534"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11539"
                           xFract="0.25063863"
                           y3="4.25902"
                           yFract="0.50462322"
                           z3="4.22838"
                           zFract="0.19029613"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24089"
                           xFract="0.50247512"
                           y3="2.11664"
                           yFract="0.25078673"
                           z3="4.25805"
                           zFract="0.19163141"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42662"
                           xFract="0.76144787"
                           y3="4.21483"
                           yFract="0.49938744"
                           z3="8.52545"
                           zFract="0.38368362"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31232"
                           xFract="0.74790521"
                           y3="-0.00723"
                           yFract="-0.00085664"
                           z3="4.24126"
                           zFract="0.19087579"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11444"
                           xFract="0.25052607"
                           y3="-0.0576"
                           yFract="-0.00682464"
                           z3="8.77073"
                           zFract="0.39472232"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3302"
                           xFract="0.7500237"
                           y3="6.34842"
                           yFract="0.75218246"
                           z3="6.4322"
                           zFract="0.28947795"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13673"
                           xFract="0.25316706"
                           y3="6.37317"
                           yFract="0.75511493"
                           z3="6.41647"
                           zFract="0.28877003"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06951"
                           xFract="-0.00823578"
                           y3="2.09649"
                           yFract="0.24839929"
                           z3="8.70087"
                           zFract="0.39157831"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00175"
                           xFract="-0.00020735"
                           y3="4.20239"
                           yFract="0.49791351"
                           z3="6.42967"
                           zFract="0.28936409"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21308"
                           xFract="0.49918009"
                           y3="6.33139"
                           yFract="0.75016469"
                           z3="4.3308"
                           zFract="0.19490549"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31598"
                           xFract="0.74833886"
                           y3="4.22885"
                           yFract="0.50104858"
                           z3="4.25306"
                           zFract="0.19140684"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12301"
                           xFract="0.25154147"
                           y3="-0.02456"
                           yFract="-0.00290995"
                           z3="4.25751"
                           zFract="0.19160711"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03976"
                           xFract="-0.0047109"
                           y3="2.13973"
                           yFract="0.25352251"
                           z3="4.25217"
                           zFract="0.19136679"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0194"
                           xFract="-0.00229858"
                           y3="6.32191"
                           yFract="0.74904147"
                           z3="8.59634"
                           zFract="0.38687399"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07767"
                           xFract="0.24616943"
                           y3="2.09694"
                           yFract="0.24845261"
                           z3="6.22135"
                           zFract="0.27998875"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01281"
                           xFract="-0.00151777"
                           y3="6.30791"
                           yFract="0.7473827"
                           z3="4.31463"
                           zFract="0.19417777"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0842"
                           xFract="0.24694313"
                           y3="4.31771"
                           yFract="0.51157701"
                           z3="8.51905"
                           zFract="0.38339559"/>
                     <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="0.00881"
                           xFract="0.00104384"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="6.3367"
                           zFract="0.28518002"/>
                     <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="2.12087"
                           xFract="0.25128791"
                           y3="0.06549"
                           yFract="0.00775948"
                           z3="6.35934"
                           zFract="0.28619892"/>
                     <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="-0.04284"
                           xFract="-0.00507583"
                           y3="-0.01803"
                           yFract="-0.00213626"
                           z3="4.2991"
                           zFract="0.19347885"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.07208"
                           xFract="-0.00854028"
                           y3="0.03189"
                           yFract="0.00377844"
                           z3="8.5586"
                           zFract="0.38517552"/>
                     <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="2.15744"
                           xFract="0.25562085"
                           y3="2.14868"
                           yFract="0.25458294"
                           z3="4.14951"
                           zFract="0.18674662"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31028"
                           xFract="0.27372986"
                           y3="1.93814"
                           yFract="0.22963744"
                           z3="9.16113"
                           zFract="0.41229208"/>
                     <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="4.16552"
                           xFract="0.49354502"
                           y3="2.10935"
                           yFract="0.24992299"
                           z3="6.43105"
                           zFract="0.28942619"/>
                     <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="6.31251"
                           xFract="0.74792773"
                           y3="0.10661"
                           yFract="0.01263152"
                           z3="6.42654"
                           zFract="0.28922322"/>
                     <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="4.25047"
                           xFract="0.50361019"
                           y3="0.0157"
                           yFract="0.00186019"
                           z3="4.21165"
                           zFract="0.1895432"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.31871"
                           xFract="0.5116955"
                           y3="-0.02113"
                           yFract="-0.00250355"
                           z3="8.55254"
                           zFract="0.38490279"/>
                     <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="6.28892"
                           xFract="0.7451327"
                           y3="2.08131"
                           yFract="0.24660071"
                           z3="4.3828"
                           zFract="0.19724572"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29304"
                           xFract="0.74562085"
                           y3="2.07197"
                           yFract="0.24549408"
                           z3="8.4864"
                           zFract="0.38192619"/>
                     <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="-0.12115"
                           xFract="-0.01435427"
                           y3="6.34575"
                           yFract="0.75186611"
                           z3="6.42928"
                           zFract="0.28934653"/>
                     <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="2.07958"
                           xFract="0.24639573"
                           y3="4.15263"
                           yFract="0.49201777"
                           z3="6.41682"
                           zFract="0.28878578"/>
                     <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="0.02856"
                           xFract="0.00338389"
                           y3="4.24033"
                           yFract="0.50240877"
                           z3="4.12727"
                           zFract="0.18574572"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08064"
                           xFract="0.0095545"
                           y3="4.16143"
                           yFract="0.49306043"
                           z3="8.86726"
                           zFract="0.39906661"/>
                     <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="2.12722"
                           xFract="0.25204028"
                           y3="6.31668"
                           yFract="0.7484218"
                           z3="4.30512"
                           zFract="0.19374977"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1093"
                           xFract="0.24991706"
                           y3="6.41767"
                           yFract="0.76038744"
                           z3="8.58528"
                           zFract="0.38637624"/>
                     <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="4.35024"
                           xFract="0.51543128"
                           y3="6.33245"
                           yFract="0.75029028"
                           z3="6.52094"
                           zFract="0.29347165"/>
                     <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="6.36415"
                           xFract="0.75404621"
                           y3="4.11221"
                           yFract="0.48722867"
                           z3="6.45919"
                           zFract="0.29069262"/>
                     <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="4.19188"
                           xFract="0.49666825"
                           y3="4.20387"
                           yFract="0.49808886"
                           z3="4.37995"
                           zFract="0.19711746"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20938"
                           xFract="0.49874171"
                           y3="4.21437"
                           yFract="0.49933294"
                           z3="8.55065"
                           zFract="0.38481773"/>
                     <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="6.2981"
                           xFract="0.74622038"
                           y3="6.35536"
                           yFract="0.75300474"
                           z3="4.06087"
                           zFract="0.18275743"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35255"
                           xFract="0.7526718"
                           y3="6.35244"
                           yFract="0.75265877"
                           z3="8.7688"
                           zFract="0.39463546"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.54">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.16171"
                           xFract="0.25612678"
                           y3="2.05805"
                           yFract="0.24384479"
                           z3="10.12358"
                           zFract="0.45560666"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33877"
                           xFract="0.7510391"
                           y3="2.09482"
                           yFract="0.24820142"
                           z3="6.43484"
                           zFract="0.28959676"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3519"
                           xFract="0.75259479"
                           y3="-0.03232"
                           yFract="-0.00382938"
                           z3="8.52094"
                           zFract="0.38348065"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20477"
                           xFract="0.4981955"
                           y3="-0.01479"
                           yFract="-0.00175237"
                           z3="6.45619"
                           zFract="0.29055761"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02696"
                           xFract="0.00319431"
                           y3="0.02478"
                           yFract="0.00293602"
                           z3="6.46813"
                           zFract="0.29109496"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27567"
                           xFract="0.50659597"
                           y3="2.06497"
                           yFract="0.24466469"
                           z3="8.48372"
                           zFract="0.38180558"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.25949"
                           xFract="0.50467891"
                           y3="6.35773"
                           yFract="0.75328555"
                           z3="8.54678"
                           zFract="0.38464356"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22745"
                           xFract="0.5008827"
                           y3="4.24122"
                           yFract="0.50251422"
                           z3="6.43235"
                           zFract="0.2894847"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11919"
                           xFract="0.25108886"
                           y3="4.26134"
                           yFract="0.5048981"
                           z3="4.23607"
                           zFract="0.19064221"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24234"
                           xFract="0.50264692"
                           y3="2.11545"
                           yFract="0.25064573"
                           z3="4.2601"
                           zFract="0.19172367"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42679"
                           xFract="0.76146801"
                           y3="4.21336"
                           yFract="0.49921327"
                           z3="8.52936"
                           zFract="0.38385959"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30898"
                           xFract="0.74750948"
                           y3="-0.00848"
                           yFract="-0.00100474"
                           z3="4.23914"
                           zFract="0.19078038"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11735"
                           xFract="0.25087085"
                           y3="-0.06155"
                           yFract="-0.00729265"
                           z3="8.76736"
                           zFract="0.39457066"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3284"
                           xFract="0.74981043"
                           y3="6.34678"
                           yFract="0.75198815"
                           z3="6.44266"
                           zFract="0.28994869"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13646"
                           xFract="0.25313507"
                           y3="6.37559"
                           yFract="0.75540166"
                           z3="6.42422"
                           zFract="0.28911881"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07268"
                           xFract="-0.00861137"
                           y3="2.09343"
                           yFract="0.24803673"
                           z3="8.71266"
                           zFract="0.39210891"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00009"
                           xFract="0.00001066"
                           y3="4.20491"
                           yFract="0.49821209"
                           z3="6.43627"
                           zFract="0.28966112"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21179"
                           xFract="0.49902725"
                           y3="6.33466"
                           yFract="0.75055213"
                           z3="4.33445"
                           zFract="0.19506976"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31697"
                           xFract="0.74845616"
                           y3="4.22916"
                           yFract="0.50108531"
                           z3="4.25517"
                           zFract="0.1915018"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12491"
                           xFract="0.25176659"
                           y3="-0.02701"
                           yFract="-0.00320024"
                           z3="4.26078"
                           zFract="0.19175428"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04203"
                           xFract="-0.00497986"
                           y3="2.13913"
                           yFract="0.25345142"
                           z3="4.25766"
                           zFract="0.19161386"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00808"
                           xFract="-0.00095735"
                           y3="6.32772"
                           yFract="0.74972986"
                           z3="8.60508"
                           zFract="0.38726733"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07505"
                           xFract="0.245859"
                           y3="2.09527"
                           yFract="0.24825474"
                           z3="6.23449"
                           zFract="0.28058011"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01081"
                           xFract="-0.00128081"
                           y3="6.30931"
                           yFract="0.74754858"
                           z3="4.31622"
                           zFract="0.19424932"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07995"
                           xFract="0.24643957"
                           y3="4.31656"
                           yFract="0.51144076"
                           z3="8.52782"
                           zFract="0.38379028"/>
                     <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="0.00817"
                           xFract="0.00096801"
                           y3="2.10834"
                           yFract="0.24980332"
                           z3="6.34385"
                           zFract="0.2855018"/>
                     <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="2.11961"
                           xFract="0.25113863"
                           y3="0.06145"
                           yFract="0.00728081"
                           z3="6.35959"
                           zFract="0.28621017"/>
                     <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="-0.04218"
                           xFract="-0.00499763"
                           y3="-0.01713"
                           yFract="-0.00202962"
                           z3="4.30605"
                           zFract="0.19379163"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06925"
                           xFract="-0.00820498"
                           y3="0.03556"
                           yFract="0.00421327"
                           z3="8.56174"
                           zFract="0.38531683"/>
                     <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="2.15438"
                           xFract="0.25525829"
                           y3="2.15296"
                           yFract="0.25509005"
                           z3="4.14845"
                           zFract="0.18669892"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30434"
                           xFract="0.27302607"
                           y3="1.93012"
                           yFract="0.2286872"
                           z3="9.1680"
                           zFract="0.41260126"/>
                     <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="4.16613"
                           xFract="0.4936173"
                           y3="2.10775"
                           yFract="0.24973341"
                           z3="6.43451"
                           zFract="0.28958191"/>
                     <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="6.3146"
                           xFract="0.74817536"
                           y3="0.10096"
                           yFract="0.01196209"
                           z3="6.42802"
                           zFract="0.28928983"/>
                     <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="4.25032"
                           xFract="0.50359242"
                           y3="0.01852"
                           yFract="0.00219431"
                           z3="4.21771"
                           zFract="0.18981593"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32572"
                           xFract="0.51252607"
                           y3="-0.02084"
                           yFract="-0.00246919"
                           z3="8.55533"
                           zFract="0.38502835"/>
                     <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="6.28652"
                           xFract="0.74484834"
                           y3="2.07793"
                           yFract="0.24620024"
                           z3="4.37967"
                           zFract="0.19710486"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30448"
                           xFract="0.7469763"
                           y3="2.06822"
                           yFract="0.24504976"
                           z3="8.4972"
                           zFract="0.38241224"/>
                     <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="-0.12683"
                           xFract="-0.01502725"
                           y3="6.33885"
                           yFract="0.75104858"
                           z3="6.4305"
                           zFract="0.28940144"/>
                     <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="2.08226"
                           xFract="0.24671327"
                           y3="4.16038"
                           yFract="0.49293602"
                           z3="6.42157"
                           zFract="0.28899955"/>
                     <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="0.02949"
                           xFract="0.00349408"
                           y3="4.23852"
                           yFract="0.50219431"
                           z3="4.13523"
                           zFract="0.18610396"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07742"
                           xFract="0.00917299"
                           y3="4.15791"
                           yFract="0.49264336"
                           z3="8.88477"
                           zFract="0.39985464"/>
                     <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="2.12521"
                           xFract="0.25180213"
                           y3="6.31248"
                           yFract="0.74792417"
                           z3="4.31006"
                           zFract="0.1939721"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10806"
                           xFract="0.24977014"
                           y3="6.41717"
                           yFract="0.7603282"
                           z3="8.58885"
                           zFract="0.3865369"/>
                     <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="4.35586"
                           xFract="0.51609716"
                           y3="6.33229"
                           yFract="0.75027133"
                           z3="6.52636"
                           zFract="0.29371557"/>
                     <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="6.3593"
                           xFract="0.75347156"
                           y3="4.11671"
                           yFract="0.48776185"
                           z3="6.46807"
                           zFract="0.29109226"/>
                     <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="4.19111"
                           xFract="0.49657701"
                           y3="4.20159"
                           yFract="0.49781872"
                           z3="4.39019"
                           zFract="0.19757831"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="4.21081"
                           yFract="0.49891114"
                           z3="8.56059"
                           zFract="0.38526508"/>
                     <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="6.30071"
                           xFract="0.74652962"
                           y3="6.35531"
                           yFract="0.75299882"
                           z3="4.06276"
                           zFract="0.18284248"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35375"
                           xFract="0.75281398"
                           y3="6.35105"
                           yFract="0.75249408"
                           z3="8.77592"
                           zFract="0.3949559"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.55">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.16386"
                           xFract="0.25638152"
                           y3="2.05751"
                           yFract="0.24378081"
                           z3="10.1286"
                           zFract="0.45583258"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33947"
                           xFract="0.75112204"
                           y3="2.09291"
                           yFract="0.24797512"
                           z3="6.43584"
                           zFract="0.28964176"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35324"
                           xFract="0.75275355"
                           y3="-0.03312"
                           yFract="-0.00392417"
                           z3="8.52259"
                           zFract="0.38355491"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20592"
                           xFract="0.49833175"
                           y3="-0.01531"
                           yFract="-0.00181398"
                           z3="6.45606"
                           zFract="0.29055176"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02517"
                           xFract="0.00298223"
                           y3="0.02376"
                           yFract="0.00281517"
                           z3="6.46831"
                           zFract="0.29110306"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27718"
                           xFract="0.50677488"
                           y3="2.06437"
                           yFract="0.2445936"
                           z3="8.4849"
                           zFract="0.38185869"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26036"
                           xFract="0.50478199"
                           y3="6.35704"
                           yFract="0.75320379"
                           z3="8.5492"
                           zFract="0.38475248"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22742"
                           xFract="0.50087915"
                           y3="4.24132"
                           yFract="0.50252607"
                           z3="6.43482"
                           zFract="0.28959586"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11965"
                           xFract="0.25114336"
                           y3="4.25967"
                           yFract="0.50470024"
                           z3="4.23775"
                           zFract="0.19071782"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24017"
                           xFract="0.50238981"
                           y3="2.11595"
                           yFract="0.25070498"
                           z3="4.26097"
                           zFract="0.19176283"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42688"
                           xFract="0.76147867"
                           y3="4.21414"
                           yFract="0.49930569"
                           z3="8.53181"
                           zFract="0.38396985"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.30969"
                           xFract="0.7475936"
                           y3="-0.00934"
                           yFract="-0.00110664"
                           z3="4.23939"
                           zFract="0.19079163"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11889"
                           xFract="0.25105332"
                           y3="-0.06043"
                           yFract="-0.00715995"
                           z3="8.7670"
                           zFract="0.39455446"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32949"
                           xFract="0.74993957"
                           y3="6.3461"
                           yFract="0.75190758"
                           z3="6.44703"
                           zFract="0.29014536"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13592"
                           xFract="0.25307109"
                           y3="6.37538"
                           yFract="0.75537678"
                           z3="6.42577"
                           zFract="0.28918857"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07226"
                           xFract="-0.00856161"
                           y3="2.09358"
                           yFract="0.2480545"
                           z3="8.71818"
                           zFract="0.39235734"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00031"
                           xFract="0.00003673"
                           y3="4.20595"
                           yFract="0.49833531"
                           z3="6.43857"
                           zFract="0.28976463"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="6.33492"
                           yFract="0.75058294"
                           z3="4.33559"
                           zFract="0.19512106"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31689"
                           xFract="0.74844668"
                           y3="4.22944"
                           yFract="0.50111848"
                           z3="4.2563"
                           zFract="0.19155266"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12455"
                           xFract="0.25172393"
                           y3="-0.0261"
                           yFract="-0.00309242"
                           z3="4.26146"
                           zFract="0.19178488"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04113"
                           xFract="-0.00487322"
                           y3="2.13827"
                           yFract="0.25334953"
                           z3="4.25983"
                           zFract="0.19171152"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00777"
                           xFract="-0.00092062"
                           y3="6.32922"
                           yFract="0.74990758"
                           z3="8.6087"
                           zFract="0.38743024"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07388"
                           xFract="0.24572038"
                           y3="2.09598"
                           yFract="0.24833886"
                           z3="6.23567"
                           zFract="0.28063321"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0105"
                           xFract="-0.00124408"
                           y3="6.30991"
                           yFract="0.74761967"
                           z3="4.31701"
                           zFract="0.19428488"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07846"
                           xFract="0.24626303"
                           y3="4.3147"
                           yFract="0.51122038"
                           z3="8.53037"
                           zFract="0.38390504"/>
                     <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="0.00833"
                           xFract="0.00098697"
                           y3="2.10895"
                           yFract="0.24987559"
                           z3="6.34688"
                           zFract="0.28563816"/>
                     <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="2.11914"
                           xFract="0.25108294"
                           y3="0.05982"
                           yFract="0.00708768"
                           z3="6.36114"
                           zFract="0.28627993"/>
                     <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="-0.04195"
                           xFract="-0.00497038"
                           y3="-0.0173"
                           yFract="-0.00204976"
                           z3="4.30721"
                           zFract="0.19384383"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06812"
                           xFract="-0.00807109"
                           y3="0.03497"
                           yFract="0.00414336"
                           z3="8.56324"
                           zFract="0.38538434"/>
                     <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="2.15345"
                           xFract="0.2551481"
                           y3="2.15287"
                           yFract="0.25507938"
                           z3="4.15296"
                           zFract="0.18690189"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30258"
                           xFract="0.27281754"
                           y3="1.9281"
                           yFract="0.22844787"
                           z3="9.16987"
                           zFract="0.41268542"/>
                     <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="4.1663"
                           xFract="0.49363744"
                           y3="2.10661"
                           yFract="0.24959834"
                           z3="6.43732"
                           zFract="0.28970837"/>
                     <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="6.31509"
                           xFract="0.74823341"
                           y3="0.09967"
                           yFract="0.01180924"
                           z3="6.42886"
                           zFract="0.28932763"/>
                     <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="4.24933"
                           xFract="0.50347512"
                           y3="0.01848"
                           yFract="0.00218957"
                           z3="4.21958"
                           zFract="0.18990009"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32754"
                           xFract="0.51274171"
                           y3="-0.01985"
                           yFract="-0.0023519"
                           z3="8.55573"
                           zFract="0.38504635"/>
                     <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="6.28697"
                           xFract="0.74490166"
                           y3="2.07814"
                           yFract="0.24622512"
                           z3="4.37807"
                           zFract="0.19703285"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30356"
                           xFract="0.7468673"
                           y3="2.06737"
                           yFract="0.24494905"
                           z3="8.50034"
                           zFract="0.38255356"/>
                     <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="-0.12857"
                           xFract="-0.01523341"
                           y3="6.33759"
                           yFract="0.75089929"
                           z3="6.43335"
                           zFract="0.2895297"/>
                     <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="2.08468"
                           xFract="0.2470"
                           y3="4.16219"
                           yFract="0.49315047"
                           z3="6.42491"
                           zFract="0.28914986"/>
                     <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="0.02874"
                           xFract="0.00340521"
                           y3="4.23846"
                           yFract="0.5021872"
                           z3="4.13725"
                           zFract="0.18619487"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07775"
                           xFract="0.00921209"
                           y3="4.15665"
                           yFract="0.49249408"
                           z3="8.88818"
                           zFract="0.4000081"/>
                     <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="2.12506"
                           xFract="0.25178436"
                           y3="6.31307"
                           yFract="0.74799408"
                           z3="4.31163"
                           zFract="0.19404275"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10877"
                           xFract="0.24985427"
                           y3="6.41561"
                           yFract="0.76014336"
                           z3="8.59081"
                           zFract="0.38662511"/>
                     <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="4.35637"
                           xFract="0.51615758"
                           y3="6.33229"
                           yFract="0.75027133"
                           z3="6.5287"
                           zFract="0.29382088"/>
                     <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="6.35785"
                           xFract="0.75329976"
                           y3="4.11848"
                           yFract="0.48797156"
                           z3="6.47025"
                           zFract="0.29119037"/>
                     <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="4.19267"
                           xFract="0.49676185"
                           y3="4.20174"
                           yFract="0.49783649"
                           z3="4.39107"
                           zFract="0.19761791"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20395"
                           xFract="0.49809834"
                           y3="4.2092"
                           yFract="0.49872038"
                           z3="8.56367"
                           zFract="0.38540369"/>
                     <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="6.30087"
                           xFract="0.74654858"
                           y3="6.35502"
                           yFract="0.75296445"
                           z3="4.06162"
                           zFract="0.18279118"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35611"
                           xFract="0.7530936"
                           y3="6.35199"
                           yFract="0.75260545"
                           z3="8.77807"
                           zFract="0.39505266"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.56">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.16902"
                           xFract="0.25699289"
                           y3="2.05619"
                           yFract="0.24362441"
                           z3="10.14062"
                           zFract="0.45637354"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34115"
                           xFract="0.75132109"
                           y3="2.08834"
                           yFract="0.24743365"
                           z3="6.43823"
                           zFract="0.28974932"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35644"
                           xFract="0.7531327"
                           y3="-0.03504"
                           yFract="-0.00415166"
                           z3="8.52656"
                           zFract="0.38373357"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2087"
                           xFract="0.49866114"
                           y3="-0.01655"
                           yFract="-0.0019609"
                           z3="6.45574"
                           zFract="0.29053735"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02086"
                           xFract="0.00247156"
                           y3="0.0213"
                           yFract="0.0025237"
                           z3="6.46873"
                           zFract="0.29112196"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28081"
                           xFract="0.50720498"
                           y3="2.06295"
                           yFract="0.24442536"
                           z3="8.48773"
                           zFract="0.38198605"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26245"
                           xFract="0.50502962"
                           y3="6.35539"
                           yFract="0.75300829"
                           z3="8.55503"
                           zFract="0.38501485"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22734"
                           xFract="0.50086967"
                           y3="4.24157"
                           yFract="0.50255569"
                           z3="6.44073"
                           zFract="0.28986184"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12078"
                           xFract="0.25127725"
                           y3="4.25565"
                           yFract="0.50422393"
                           z3="4.24176"
                           zFract="0.19089829"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23497"
                           xFract="0.5017737"
                           y3="2.11716"
                           yFract="0.25084834"
                           z3="4.26307"
                           zFract="0.19185734"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42707"
                           xFract="0.76150118"
                           y3="4.21601"
                           yFract="0.49952725"
                           z3="8.53769"
                           zFract="0.38423447"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31139"
                           xFract="0.74779502"
                           y3="-0.0114"
                           yFract="-0.00135071"
                           z3="4.24001"
                           zFract="0.19081953"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12259"
                           xFract="0.25149171"
                           y3="-0.05775"
                           yFract="-0.00684242"
                           z3="8.76613"
                           zFract="0.3945153"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33211"
                           xFract="0.75025"
                           y3="6.34447"
                           yFract="0.75171445"
                           z3="6.45752"
                           zFract="0.29061746"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13464"
                           xFract="0.25291943"
                           y3="6.37487"
                           yFract="0.75531635"
                           z3="6.42948"
                           zFract="0.28935554"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07125"
                           xFract="-0.00844194"
                           y3="2.09396"
                           yFract="0.24809953"
                           z3="8.73141"
                           zFract="0.39295275"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00082"
                           xFract="0.00009716"
                           y3="4.20846"
                           yFract="0.4986327"
                           z3="6.44408"
                           zFract="0.2900126"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21251"
                           xFract="0.49911256"
                           y3="6.33555"
                           yFract="0.75065758"
                           z3="4.33833"
                           zFract="0.19524437"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3167"
                           xFract="0.74842417"
                           y3="4.23013"
                           yFract="0.50120024"
                           z3="4.25899"
                           zFract="0.19167372"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12367"
                           xFract="0.25161967"
                           y3="-0.02391"
                           yFract="-0.00283294"
                           z3="4.26308"
                           zFract="0.19185779"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03898"
                           xFract="-0.00461848"
                           y3="2.1362"
                           yFract="0.25310427"
                           z3="4.26505"
                           zFract="0.19194644"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0070"
                           xFract="-0.00082938"
                           y3="6.33279"
                           yFract="0.75033057"
                           z3="8.61738"
                           zFract="0.38782088"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07107"
                           xFract="0.24538744"
                           y3="2.09769"
                           yFract="0.24854147"
                           z3="6.2385"
                           zFract="0.28076058"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00974"
                           xFract="-0.00115403"
                           y3="6.31136"
                           yFract="0.74779147"
                           z3="4.31891"
                           zFract="0.19437039"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07489"
                           xFract="0.24584005"
                           y3="4.31024"
                           yFract="0.51069194"
                           z3="8.53648"
                           zFract="0.38418002"/>
                     <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="0.00873"
                           xFract="0.00103436"
                           y3="2.11042"
                           yFract="0.25004976"
                           z3="6.35414"
                           zFract="0.2859649"/>
                     <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="2.11802"
                           xFract="0.25095024"
                           y3="0.05591"
                           yFract="0.00662441"
                           z3="6.36483"
                           zFract="0.28644599"/>
                     <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="-0.0414"
                           xFract="-0.00490521"
                           y3="-0.01771"
                           yFract="-0.00209834"
                           z3="4.3100"
                           zFract="0.1939694"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06541"
                           xFract="-0.00775"
                           y3="0.03356"
                           yFract="0.0039763"
                           z3="8.56682"
                           zFract="0.38554545"/>
                     <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="2.15123"
                           xFract="0.25488507"
                           y3="2.15265"
                           yFract="0.25505332"
                           z3="4.16377"
                           zFract="0.18738839"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29834"
                           xFract="0.27231517"
                           y3="1.92326"
                           yFract="0.22787441"
                           z3="9.17436"
                           zFract="0.41288749"/>
                     <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="4.16671"
                           xFract="0.49368602"
                           y3="2.10388"
                           yFract="0.24927488"
                           z3="6.44407"
                           zFract="0.29001215"/>
                     <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="6.31627"
                           xFract="0.74837322"
                           y3="0.09657"
                           yFract="0.01144194"
                           z3="6.43085"
                           zFract="0.28941719"/>
                     <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="4.24698"
                           xFract="0.50319668"
                           y3="0.0184"
                           yFract="0.00218009"
                           z3="4.22406"
                           zFract="0.19010171"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33193"
                           xFract="0.51326185"
                           y3="-0.0175"
                           yFract="-0.00207346"
                           z3="8.55669"
                           zFract="0.38508956"/>
                     <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="6.28807"
                           xFract="0.74503199"
                           y3="2.07866"
                           yFract="0.24628673"
                           z3="4.37426"
                           zFract="0.19686139"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30138"
                           xFract="0.746609"
                           y3="2.06532"
                           yFract="0.24470616"
                           z3="8.50787"
                           zFract="0.38289244"/>
                     <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="-0.13273"
                           xFract="-0.0157263"
                           y3="6.33455"
                           yFract="0.7505391"
                           z3="6.44019"
                           zFract="0.28983753"/>
                     <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="2.09049"
                           xFract="0.24768839"
                           y3="4.16655"
                           yFract="0.49366706"
                           z3="6.43293"
                           zFract="0.2895108"/>
                     <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="0.02693"
                           xFract="0.00319076"
                           y3="4.23831"
                           yFract="0.50216943"
                           z3="4.14208"
                           zFract="0.18641224"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07855"
                           xFract="0.00930687"
                           y3="4.15363"
                           yFract="0.49213626"
                           z3="8.89635"
                           zFract="0.40037579"/>
                     <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="2.12469"
                           xFract="0.25174052"
                           y3="6.31448"
                           yFract="0.74816114"
                           z3="4.31538"
                           zFract="0.19421152"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11048"
                           xFract="0.25005687"
                           y3="6.41185"
                           yFract="0.75969787"
                           z3="8.59552"
                           zFract="0.38683708"/>
                     <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="4.35759"
                           xFract="0.51630213"
                           y3="6.33229"
                           yFract="0.75027133"
                           z3="6.53432"
                           zFract="0.29407381"/>
                     <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="6.35436"
                           xFract="0.75288626"
                           y3="4.12271"
                           yFract="0.48847275"
                           z3="6.47547"
                           zFract="0.29142529"/>
                     <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="4.19639"
                           xFract="0.49720261"
                           y3="4.20212"
                           yFract="0.49788152"
                           z3="4.39317"
                           zFract="0.19771242"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19907"
                           xFract="0.49752014"
                           y3="4.20535"
                           yFract="0.49826422"
                           z3="8.57104"
                           zFract="0.38573537"/>
                     <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="6.30125"
                           xFract="0.7465936"
                           y3="6.35434"
                           yFract="0.75288389"
                           z3="4.05886"
                           zFract="0.18266697"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36179"
                           xFract="0.75376659"
                           y3="6.35426"
                           yFract="0.75287441"
                           z3="8.78322"
                           zFract="0.39528443"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.57">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17032"
                           xFract="0.25714692"
                           y3="2.05542"
                           yFract="0.24353318"
                           z3="10.14075"
                           zFract="0.45637939"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34135"
                           xFract="0.75134479"
                           y3="2.08772"
                           yFract="0.24736019"
                           z3="6.43877"
                           zFract="0.28977363"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3570"
                           xFract="0.75319905"
                           y3="-0.03539"
                           yFract="-0.00419313"
                           z3="8.52743"
                           zFract="0.38377273"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2092"
                           xFract="0.49872038"
                           y3="-0.01674"
                           yFract="-0.00198341"
                           z3="6.45571"
                           zFract="0.290536"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02022"
                           xFract="0.00239573"
                           y3="0.02089"
                           yFract="0.00247512"
                           z3="6.46881"
                           zFract="0.29112556"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28137"
                           xFract="0.50727133"
                           y3="2.06278"
                           yFract="0.24440521"
                           z3="8.4885"
                           zFract="0.3820207"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26288"
                           xFract="0.50508057"
                           y3="6.3550"
                           yFract="0.75296209"
                           z3="8.55635"
                           zFract="0.38507426"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22735"
                           xFract="0.50087085"
                           y3="4.24149"
                           yFract="0.50254621"
                           z3="6.44209"
                           zFract="0.28992304"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12085"
                           xFract="0.25128555"
                           y3="4.25515"
                           yFract="0.50416469"
                           z3="4.24248"
                           zFract="0.19093069"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23429"
                           xFract="0.50169313"
                           y3="2.11739"
                           yFract="0.25087559"
                           z3="4.26364"
                           zFract="0.19188299"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42718"
                           xFract="0.76151422"
                           y3="4.21627"
                           yFract="0.49955806"
                           z3="8.53898"
                           zFract="0.38429253"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31164"
                           xFract="0.74782464"
                           y3="-0.0117"
                           yFract="-0.00138626"
                           z3="4.2402"
                           zFract="0.19082808"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12337"
                           xFract="0.25158412"
                           y3="-0.05749"
                           yFract="-0.00681161"
                           z3="8.76606"
                           zFract="0.39451215"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33237"
                           xFract="0.75028081"
                           y3="6.34407"
                           yFract="0.75166706"
                           z3="6.4596"
                           zFract="0.29071107"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13439"
                           xFract="0.25288981"
                           y3="6.37467"
                           yFract="0.75529265"
                           z3="6.43025"
                           zFract="0.28939019"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07104"
                           xFract="-0.00841706"
                           y3="2.09401"
                           yFract="0.24810545"
                           z3="8.73425"
                           zFract="0.39308056"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00083"
                           xFract="0.00009834"
                           y3="4.20891"
                           yFract="0.49868602"
                           z3="6.44523"
                           zFract="0.29006436"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21266"
                           xFract="0.49913033"
                           y3="6.33556"
                           yFract="0.75065877"
                           z3="4.33893"
                           zFract="0.19527138"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31668"
                           xFract="0.7484218"
                           y3="4.2302"
                           yFract="0.50120853"
                           z3="4.25965"
                           zFract="0.19170342"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12346"
                           xFract="0.25159479"
                           y3="-0.02355"
                           yFract="-0.00279028"
                           z3="4.26349"
                           zFract="0.19187624"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03871"
                           xFract="-0.00458649"
                           y3="2.13593"
                           yFract="0.25307227"
                           z3="4.26605"
                           zFract="0.19199145"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00683"
                           xFract="-0.00080924"
                           y3="6.33341"
                           yFract="0.75040403"
                           z3="8.6193"
                           zFract="0.38790729"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07066"
                           xFract="0.24533886"
                           y3="2.09796"
                           yFract="0.24857346"
                           z3="6.23928"
                           zFract="0.28079568"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00963"
                           xFract="-0.001141"
                           y3="6.31143"
                           yFract="0.74779976"
                           z3="4.31939"
                           zFract="0.19439199"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07435"
                           xFract="0.24577607"
                           y3="4.30929"
                           yFract="0.51057938"
                           z3="8.53782"
                           zFract="0.38424032"/>
                     <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="0.00876"
                           xFract="0.00103791"
                           y3="2.11081"
                           yFract="0.25009597"
                           z3="6.35564"
                           zFract="0.2860324"/>
                     <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="2.11775"
                           xFract="0.25091825"
                           y3="0.05517"
                           yFract="0.00653673"
                           z3="6.36568"
                           zFract="0.28648425"/>
                     <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="-0.04132"
                           xFract="-0.00489573"
                           y3="-0.01783"
                           yFract="-0.00211256"
                           z3="4.3105"
                           zFract="0.1939919"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0649"
                           xFract="-0.00768957"
                           y3="0.03328"
                           yFract="0.00394313"
                           z3="8.5676"
                           zFract="0.38558056"/>
                     <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="2.15086"
                           xFract="0.25484123"
                           y3="2.15253"
                           yFract="0.2550391"
                           z3="4.16568"
                           zFract="0.18747435"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29728"
                           xFract="0.27218957"
                           y3="1.9229"
                           yFract="0.22783175"
                           z3="9.17779"
                           zFract="0.41304185"/>
                     <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="4.16671"
                           xFract="0.49368602"
                           y3="2.10336"
                           yFract="0.24921327"
                           z3="6.44525"
                           zFract="0.29006526"/>
                     <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="6.31659"
                           xFract="0.74841114"
                           y3="0.09588"
                           yFract="0.01136019"
                           z3="6.43123"
                           zFract="0.28943429"/>
                     <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="4.24657"
                           xFract="0.5031481"
                           y3="0.01836"
                           yFract="0.00217536"
                           z3="4.22485"
                           zFract="0.19013726"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33268"
                           xFract="0.51335071"
                           y3="-0.0173"
                           yFract="-0.00204976"
                           z3="8.55694"
                           zFract="0.38510081"/>
                     <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="6.28831"
                           xFract="0.74506043"
                           y3="2.07871"
                           yFract="0.24629265"
                           z3="4.37364"
                           zFract="0.19683348"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30105"
                           xFract="0.74656991"
                           y3="2.06495"
                           yFract="0.24466232"
                           z3="8.50932"
                           zFract="0.3829577"/>
                     <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="-0.13327"
                           xFract="-0.01579028"
                           y3="6.33408"
                           yFract="0.75048341"
                           z3="6.44169"
                           zFract="0.28990504"/>
                     <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="2.09159"
                           xFract="0.24781872"
                           y3="4.16726"
                           yFract="0.49375118"
                           z3="6.43446"
                           zFract="0.28957966"/>
                     <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="0.02666"
                           xFract="0.00315877"
                           y3="4.23831"
                           yFract="0.50216943"
                           z3="4.14281"
                           zFract="0.18644509"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07865"
                           xFract="0.00931872"
                           y3="4.15301"
                           yFract="0.4920628"
                           z3="8.8979"
                           zFract="0.40044554"/>
                     <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="2.12465"
                           xFract="0.25173578"
                           y3="6.31473"
                           yFract="0.74819076"
                           z3="4.31614"
                           zFract="0.19424572"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11086"
                           xFract="0.2501019"
                           y3="6.41131"
                           yFract="0.75963389"
                           z3="8.59659"
                           zFract="0.38688524"/>
                     <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="4.35795"
                           xFract="0.51634479"
                           y3="6.33224"
                           yFract="0.7502654"
                           z3="6.53557"
                           zFract="0.29413006"/>
                     <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="6.35378"
                           xFract="0.75281754"
                           y3="4.12335"
                           yFract="0.48854858"
                           z3="6.47661"
                           zFract="0.2914766"/>
                     <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="4.19699"
                           xFract="0.4972737"
                           y3="4.20221"
                           yFract="0.49789218"
                           z3="4.39345"
                           zFract="0.19772502"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19834"
                           xFract="0.49743365"
                           y3="4.20472"
                           yFract="0.49818957"
                           z3="8.57258"
                           zFract="0.38580468"/>
                     <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="6.3013"
                           xFract="0.74659953"
                           y3="6.35426"
                           yFract="0.75287441"
                           z3="4.05814"
                           zFract="0.18263456"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36284"
                           xFract="0.753891"
                           y3="6.35465"
                           yFract="0.75292062"
                           z3="8.78448"
                           zFract="0.39534113"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.58">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17226"
                           xFract="0.25737678"
                           y3="2.05427"
                           yFract="0.24339692"
                           z3="10.14093"
                           zFract="0.45638749"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34166"
                           xFract="0.75138152"
                           y3="2.0868"
                           yFract="0.24725118"
                           z3="6.43957"
                           zFract="0.28980963"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35785"
                           xFract="0.75329976"
                           y3="-0.0359"
                           yFract="-0.00425355"
                           z3="8.52874"
                           zFract="0.38383168"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20994"
                           xFract="0.49880806"
                           y3="-0.01702"
                           yFract="-0.00201659"
                           z3="6.45566"
                           zFract="0.29053375"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01925"
                           xFract="0.00228081"
                           y3="0.02029"
                           yFract="0.00240403"
                           z3="6.46894"
                           zFract="0.29113141"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2822"
                           xFract="0.50736967"
                           y3="2.06252"
                           yFract="0.24437441"
                           z3="8.48964"
                           zFract="0.38207201"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26352"
                           xFract="0.5051564"
                           y3="6.35442"
                           yFract="0.75289336"
                           z3="8.55831"
                           zFract="0.38516247"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22737"
                           xFract="0.50087322"
                           y3="4.24136"
                           yFract="0.50253081"
                           z3="6.44411"
                           zFract="0.29001395"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12096"
                           xFract="0.25129858"
                           y3="4.2544"
                           yFract="0.50407583"
                           z3="4.24355"
                           zFract="0.19097885"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23328"
                           xFract="0.50157346"
                           y3="2.11774"
                           yFract="0.25091706"
                           z3="4.2645"
                           zFract="0.19192169"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42733"
                           xFract="0.76153199"
                           y3="4.21665"
                           yFract="0.49960308"
                           z3="8.54091"
                           zFract="0.38437939"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31202"
                           xFract="0.74786967"
                           y3="-0.01215"
                           yFract="-0.00143957"
                           z3="4.24049"
                           zFract="0.19084113"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12453"
                           xFract="0.25172156"
                           y3="-0.0571"
                           yFract="-0.0067654"
                           z3="8.76597"
                           zFract="0.3945081"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33277"
                           xFract="0.7503282"
                           y3="6.34347"
                           yFract="0.75159597"
                           z3="6.46271"
                           zFract="0.29085104"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13402"
                           xFract="0.25284597"
                           y3="6.37438"
                           yFract="0.75525829"
                           z3="6.43139"
                           zFract="0.28944149"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07074"
                           xFract="-0.00838152"
                           y3="2.0941"
                           yFract="0.24811611"
                           z3="8.73849"
                           zFract="0.39327138"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00084"
                           xFract="0.00009953"
                           y3="4.20958"
                           yFract="0.4987654"
                           z3="6.44695"
                           zFract="0.29014176"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21287"
                           xFract="0.49915521"
                           y3="6.33558"
                           yFract="0.75066114"
                           z3="4.33981"
                           zFract="0.19531098"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31664"
                           xFract="0.74841706"
                           y3="4.2303"
                           yFract="0.50122038"
                           z3="4.26064"
                           zFract="0.19174797"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12315"
                           xFract="0.25155806"
                           y3="-0.02303"
                           yFract="-0.00272867"
                           z3="4.2641"
                           zFract="0.19190369"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0383"
                           xFract="-0.00453791"
                           y3="2.13551"
                           yFract="0.25302251"
                           z3="4.26756"
                           zFract="0.19205941"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00657"
                           xFract="-0.00077844"
                           y3="6.33433"
                           yFract="0.75051303"
                           z3="8.62216"
                           zFract="0.388036"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07005"
                           xFract="0.24526659"
                           y3="2.09835"
                           yFract="0.24861967"
                           z3="6.24045"
                           zFract="0.28084833"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00945"
                           xFract="-0.00111967"
                           y3="6.31153"
                           yFract="0.74781161"
                           z3="4.32011"
                           zFract="0.19442439"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07353"
                           xFract="0.24567891"
                           y3="4.30786"
                           yFract="0.51040995"
                           z3="8.53983"
                           zFract="0.38433078"/>
                     <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="0.00882"
                           xFract="0.00104502"
                           y3="2.11139"
                           yFract="0.25016469"
                           z3="6.35786"
                           zFract="0.28613231"/>
                     <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="2.11735"
                           xFract="0.25087085"
                           y3="0.05407"
                           yFract="0.0064064"
                           z3="6.36695"
                           zFract="0.2865414"/>
                     <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="-0.04121"
                           xFract="-0.0048827"
                           y3="-0.0180"
                           yFract="-0.0021327"
                           z3="4.31124"
                           zFract="0.1940252"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06414"
                           xFract="-0.00759953"
                           y3="0.03285"
                           yFract="0.00389218"
                           z3="8.56876"
                           zFract="0.38563276"/>
                     <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="2.15031"
                           xFract="0.25477607"
                           y3="2.15234"
                           yFract="0.25501659"
                           z3="4.16854"
                           zFract="0.18760306"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2957"
                           xFract="0.27200237"
                           y3="1.92237"
                           yFract="0.22776896"
                           z3="9.18291"
                           zFract="0.41327228"/>
                     <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="4.16671"
                           xFract="0.49368602"
                           y3="2.10259"
                           yFract="0.24912204"
                           z3="6.44701"
                           zFract="0.29014446"/>
                     <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="6.31705"
                           xFract="0.74846564"
                           y3="0.09485"
                           yFract="0.01123815"
                           z3="6.4318"
                           zFract="0.28945995"/>
                     <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="4.24595"
                           xFract="0.50307464"
                           y3="0.0183"
                           yFract="0.00216825"
                           z3="4.22605"
                           zFract="0.19019127"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3338"
                           xFract="0.51348341"
                           y3="-0.01702"
                           yFract="-0.00201659"
                           z3="8.55732"
                           zFract="0.38511791"/>
                     <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="6.28867"
                           xFract="0.74510308"
                           y3="2.07879"
                           yFract="0.24630213"
                           z3="4.37271"
                           zFract="0.19679163"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30056"
                           xFract="0.74651185"
                           y3="2.0644"
                           yFract="0.24459716"
                           z3="8.51147"
                           zFract="0.38305446"/>
                     <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="-0.13408"
                           xFract="-0.01588626"
                           y3="6.33339"
                           yFract="0.75040166"
                           z3="6.44394"
                           zFract="0.2900063"/>
                     <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="2.09324"
                           xFract="0.24801422"
                           y3="4.16833"
                           yFract="0.49387796"
                           z3="6.43674"
                           zFract="0.28968227"/>
                     <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="0.02625"
                           xFract="0.00311019"
                           y3="4.2383"
                           yFract="0.50216825"
                           z3="4.1439"
                           zFract="0.18649415"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07878"
                           xFract="0.00933412"
                           y3="4.15208"
                           yFract="0.49195261"
                           z3="8.90021"
                           zFract="0.4005495"/>
                     <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="2.12458"
                           xFract="0.25172749"
                           y3="6.31509"
                           yFract="0.74823341"
                           z3="4.31726"
                           zFract="0.19429613"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11143"
                           xFract="0.25016943"
                           y3="6.4105"
                           yFract="0.75953791"
                           z3="8.59818"
                           zFract="0.3869568"/>
                     <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="4.3585"
                           xFract="0.51640995"
                           y3="6.33217"
                           yFract="0.75025711"
                           z3="6.53745"
                           zFract="0.29421467"/>
                     <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="6.35292"
                           xFract="0.75271564"
                           y3="4.1243"
                           yFract="0.48866114"
                           z3="6.47832"
                           zFract="0.29155356"/>
                     <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="4.19788"
                           xFract="0.49737915"
                           y3="4.20235"
                           yFract="0.49790877"
                           z3="4.39388"
                           zFract="0.19774437"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19724"
                           xFract="0.49730332"
                           y3="4.20378"
                           yFract="0.4980782"
                           z3="8.57487"
                           zFract="0.38590774"/>
                     <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="6.30137"
                           xFract="0.74660782"
                           y3="6.35415"
                           yFract="0.75286137"
                           z3="4.05705"
                           zFract="0.18258551"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36442"
                           xFract="0.7540782"
                           y3="6.35523"
                           yFract="0.75298934"
                           z3="8.78636"
                           zFract="0.39542574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.59">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.1724"
                           xFract="0.25739336"
                           y3="2.05388"
                           yFract="0.24335071"
                           z3="10.14129"
                           zFract="0.45640369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3415"
                           xFract="0.75136256"
                           y3="2.08723"
                           yFract="0.24730213"
                           z3="6.43978"
                           zFract="0.28981908"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35783"
                           xFract="0.75329739"
                           y3="-0.03577"
                           yFract="-0.00423815"
                           z3="8.52903"
                           zFract="0.38384473"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="-0.0170"
                           yFract="-0.00201422"
                           z3="6.45579"
                           zFract="0.2905396"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.01949"
                           xFract="0.00230924"
                           y3="0.02037"
                           yFract="0.00241351"
                           z3="6.46911"
                           zFract="0.29113906"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28192"
                           xFract="0.50733649"
                           y3="2.0626"
                           yFract="0.24438389"
                           z3="8.49014"
                           zFract="0.38209451"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26352"
                           xFract="0.5051564"
                           y3="6.35434"
                           yFract="0.75288389"
                           z3="8.55872"
                           zFract="0.38518092"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22743"
                           xFract="0.50088033"
                           y3="4.24117"
                           yFract="0.50250829"
                           z3="6.4445"
                           zFract="0.2900315"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12075"
                           xFract="0.2512737"
                           y3="4.25484"
                           yFract="0.50412796"
                           z3="4.24359"
                           zFract="0.19098065"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23382"
                           xFract="0.50163744"
                           y3="2.11772"
                           yFract="0.25091469"
                           z3="4.2648"
                           zFract="0.19193519"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42749"
                           xFract="0.76155095"
                           y3="4.21643"
                           yFract="0.49957701"
                           z3="8.54129"
                           zFract="0.38439649"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31188"
                           xFract="0.74785308"
                           y3="-0.0120"
                           yFract="-0.0014218"
                           z3="4.2406"
                           zFract="0.19084608"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12468"
                           xFract="0.25173934"
                           y3="-0.05748"
                           yFract="-0.00681043"
                           z3="8.76616"
                           zFract="0.39451665"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33239"
                           xFract="0.75028318"
                           y3="6.3433"
                           yFract="0.75157583"
                           z3="6.46297"
                           zFract="0.29086274"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1340"
                           xFract="0.2528436"
                           y3="6.37425"
                           yFract="0.75524289"
                           z3="6.43162"
                           zFract="0.28945185"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07068"
                           xFract="-0.00837441"
                           y3="2.09401"
                           yFract="0.24810545"
                           z3="8.73922"
                           zFract="0.39330423"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00072"
                           xFract="0.00008531"
                           y3="4.20957"
                           yFract="0.49876422"
                           z3="6.44722"
                           zFract="0.29015392"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21294"
                           xFract="0.49916351"
                           y3="6.33544"
                           yFract="0.75064455"
                           z3="4.33996"
                           zFract="0.19531773"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31669"
                           xFract="0.74842299"
                           y3="4.23019"
                           yFract="0.50120735"
                           z3="4.26092"
                           zFract="0.19176058"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12309"
                           xFract="0.25155095"
                           y3="-0.02316"
                           yFract="-0.00274408"
                           z3="4.26431"
                           zFract="0.19191314"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03856"
                           xFract="-0.00456872"
                           y3="2.1357"
                           yFract="0.25304502"
                           z3="4.26767"
                           zFract="0.19206436"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00635"
                           xFract="-0.00075237"
                           y3="6.33429"
                           yFract="0.75050829"
                           z3="8.62271"
                           zFract="0.38806076"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07022"
                           xFract="0.24528673"
                           y3="2.09823"
                           yFract="0.24860545"
                           z3="6.24103"
                           zFract="0.28087444"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00949"
                           xFract="-0.00112441"
                           y3="6.31121"
                           yFract="0.7477737"
                           z3="4.32035"
                           zFract="0.19443519"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0737"
                           xFract="0.24569905"
                           y3="4.30766"
                           yFract="0.51038626"
                           z3="8.54028"
                           zFract="0.38435104"/>
                     <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="0.00876"
                           xFract="0.00103791"
                           y3="2.11157"
                           yFract="0.25018602"
                           z3="6.3581"
                           zFract="0.28614311"/>
                     <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="2.11727"
                           xFract="0.25086137"
                           y3="0.05403"
                           yFract="0.00640166"
                           z3="6.36722"
                           zFract="0.28655356"/>
                     <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="-0.01805"
                           yFract="-0.00213863"
                           z3="4.31125"
                           zFract="0.19402565"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06411"
                           xFract="-0.00759597"
                           y3="0.0328"
                           yFract="0.00388626"
                           z3="8.56896"
                           zFract="0.38564176"/>
                     <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="2.15036"
                           xFract="0.25478199"
                           y3="2.15227"
                           yFract="0.25500829"
                           z3="4.16827"
                           zFract="0.18759091"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2959"
                           xFract="0.27202607"
                           y3="1.92266"
                           yFract="0.22780332"
                           z3="9.18343"
                           zFract="0.41329568"/>
                     <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="4.16658"
                           xFract="0.49367062"
                           y3="2.10261"
                           yFract="0.24912441"
                           z3="6.4469"
                           zFract="0.29013951"/>
                     <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="6.31722"
                           xFract="0.74848578"
                           y3="0.0946"
                           yFract="0.01120853"
                           z3="6.43183"
                           zFract="0.2894613"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.24598"
                           xFract="0.5030782"
                           y3="0.01815"
                           yFract="0.00215047"
                           z3="4.22602"
                           zFract="0.19018992"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33373"
                           xFract="0.51347512"
                           y3="-0.01743"
                           yFract="-0.00206517"
                           z3="8.55747"
                           zFract="0.38512466"/>
                     <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="6.28869"
                           xFract="0.74510545"
                           y3="2.0787"
                           yFract="0.24629147"
                           z3="4.37284"
                           zFract="0.19679748"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30069"
                           xFract="0.74652725"
                           y3="2.0644"
                           yFract="0.24459716"
                           z3="8.51164"
                           zFract="0.38306211"/>
                     <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="-0.13374"
                           xFract="-0.01584597"
                           y3="6.33348"
                           yFract="0.75041232"
                           z3="6.44431"
                           zFract="0.29002295"/>
                     <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="2.0933"
                           xFract="0.24802133"
                           y3="4.16824"
                           yFract="0.4938673"
                           z3="6.43682"
                           zFract="0.28968587"/>
                     <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="0.02638"
                           xFract="0.00312559"
                           y3="4.23833"
                           yFract="0.5021718"
                           z3="4.14369"
                           zFract="0.1864847"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07866"
                           xFract="0.00931991"
                           y3="4.15204"
                           yFract="0.49194787"
                           z3="8.90042"
                           zFract="0.40055896"/>
                     <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="2.12464"
                           xFract="0.2517346"
                           y3="6.31501"
                           yFract="0.74822393"
                           z3="4.31741"
                           zFract="0.19430288"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11152"
                           xFract="0.25018009"
                           y3="6.41074"
                           yFract="0.75956635"
                           z3="8.59851"
                           zFract="0.38697165"/>
                     <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="4.35877"
                           xFract="0.51644194"
                           y3="6.33207"
                           yFract="0.75024526"
                           z3="6.53782"
                           zFract="0.29423132"/>
                     <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="6.35299"
                           xFract="0.75272393"
                           y3="4.12409"
                           yFract="0.48863626"
                           z3="6.47867"
                           zFract="0.29156931"/>
                     <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="4.1977"
                           xFract="0.49735782"
                           y3="4.20248"
                           yFract="0.49792417"
                           z3="4.39386"
                           zFract="0.19774347"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19751"
                           xFract="0.49733531"
                           y3="4.20389"
                           yFract="0.49809123"
                           z3="8.57523"
                           zFract="0.38592394"/>
                     <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="6.30131"
                           xFract="0.74660071"
                           y3="6.35423"
                           yFract="0.75287085"
                           z3="4.0567"
                           zFract="0.18256976"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36437"
                           xFract="0.75407227"
                           y3="6.3551"
                           yFract="0.75297393"
                           z3="8.78699"
                           zFract="0.3954541"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17281"
                           xFract="0.25744194"
                           y3="2.05273"
                           yFract="0.24321445"
                           z3="10.14239"
                           zFract="0.4564532"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34103"
                           xFract="0.75130687"
                           y3="2.08851"
                           yFract="0.24745379"
                           z3="6.44042"
                           zFract="0.28984788"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35777"
                           xFract="0.75329028"
                           y3="-0.03541"
                           yFract="-0.0041955"
                           z3="8.52988"
                           zFract="0.38388299"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20977"
                           xFract="0.49878791"
                           y3="-0.01692"
                           yFract="-0.00200474"
                           z3="6.45618"
                           zFract="0.29055716"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02021"
                           xFract="0.00239455"
                           y3="0.02063"
                           yFract="0.00244431"
                           z3="6.46963"
                           zFract="0.29116247"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28109"
                           xFract="0.50723815"
                           y3="2.06286"
                           yFract="0.24441469"
                           z3="8.49162"
                           zFract="0.38216112"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26354"
                           xFract="0.50515877"
                           y3="6.3541"
                           yFract="0.75285545"
                           z3="8.55994"
                           zFract="0.38523582"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22762"
                           xFract="0.50090284"
                           y3="4.24062"
                           yFract="0.50244313"
                           z3="6.4457"
                           zFract="0.29008551"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12012"
                           xFract="0.25119905"
                           y3="4.25615"
                           yFract="0.50428318"
                           z3="4.24369"
                           zFract="0.19098515"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23545"
                           xFract="0.50183057"
                           y3="2.11769"
                           yFract="0.25091114"
                           z3="4.26571"
                           zFract="0.19197615"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42796"
                           xFract="0.76160664"
                           y3="4.21575"
                           yFract="0.49949645"
                           z3="8.54241"
                           zFract="0.38444689"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31147"
                           xFract="0.7478045"
                           y3="-0.01156"
                           yFract="-0.00136967"
                           z3="4.24092"
                           zFract="0.19086049"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12512"
                           xFract="0.25179147"
                           y3="-0.05861"
                           yFract="-0.00694431"
                           z3="8.76672"
                           zFract="0.39454185"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33127"
                           xFract="0.75015047"
                           y3="6.34281"
                           yFract="0.75151777"
                           z3="6.46377"
                           zFract="0.29089874"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13394"
                           xFract="0.25283649"
                           y3="6.37384"
                           yFract="0.75519431"
                           z3="6.4323"
                           zFract="0.28948245"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07051"
                           xFract="-0.00835427"
                           y3="2.09376"
                           yFract="0.24807583"
                           z3="8.7414"
                           zFract="0.39340234"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00036"
                           xFract="0.00004265"
                           y3="4.20952"
                           yFract="0.49875829"
                           z3="6.44805"
                           zFract="0.29019127"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21313"
                           xFract="0.49918602"
                           y3="6.33501"
                           yFract="0.7505936"
                           z3="4.34041"
                           zFract="0.19533798"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31682"
                           xFract="0.74843839"
                           y3="4.22986"
                           yFract="0.50116825"
                           z3="4.26177"
                           zFract="0.19179883"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12292"
                           xFract="0.25153081"
                           y3="-0.02355"
                           yFract="-0.00279028"
                           z3="4.26494"
                           zFract="0.19194149"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.03932"
                           xFract="-0.00465877"
                           y3="2.13627"
                           yFract="0.25311256"
                           z3="4.26803"
                           zFract="0.19208056"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0057"
                           xFract="-0.00067536"
                           y3="6.33415"
                           yFract="0.75049171"
                           z3="8.62437"
                           zFract="0.38813546"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07073"
                           xFract="0.24534716"
                           y3="2.09784"
                           yFract="0.24855924"
                           z3="6.24278"
                           zFract="0.2809532"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.00959"
                           xFract="-0.00113626"
                           y3="6.31025"
                           yFract="0.74765995"
                           z3="4.3211"
                           zFract="0.19446895"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0742"
                           xFract="0.24575829"
                           y3="4.30706"
                           yFract="0.51031517"
                           z3="8.54163"
                           zFract="0.38441179"/>
                     <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="0.00859"
                           xFract="0.00101777"
                           y3="2.11213"
                           yFract="0.25025237"
                           z3="6.35883"
                           zFract="0.28617597"/>
                     <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="2.11702"
                           xFract="0.25083175"
                           y3="0.05392"
                           yFract="0.00638863"
                           z3="6.36802"
                           zFract="0.28658956"/>
                     <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="-0.0414"
                           xFract="-0.00490521"
                           y3="-0.01823"
                           yFract="-0.00215995"
                           z3="4.31127"
                           zFract="0.19402655"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06402"
                           xFract="-0.00758531"
                           y3="0.03263"
                           yFract="0.00386611"
                           z3="8.56954"
                           zFract="0.38566787"/>
                     <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="2.1505"
                           xFract="0.25479858"
                           y3="2.15205"
                           yFract="0.25498223"
                           z3="4.16746"
                           zFract="0.18755446"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2965"
                           xFract="0.27209716"
                           y3="1.92353"
                           yFract="0.2279064"
                           z3="9.1850"
                           zFract="0.41336634"/>
                     <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="4.16618"
                           xFract="0.49362322"
                           y3="2.10268"
                           yFract="0.2491327"
                           z3="6.44658"
                           zFract="0.29012511"/>
                     <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="6.31773"
                           xFract="0.74854621"
                           y3="0.09385"
                           yFract="0.01111967"
                           z3="6.43192"
                           zFract="0.28946535"/>
                     <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="4.24609"
                           xFract="0.50309123"
                           y3="0.01769"
                           yFract="0.00209597"
                           z3="4.22594"
                           zFract="0.19018632"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33354"
                           xFract="0.51345261"
                           y3="-0.01866"
                           yFract="-0.0022109"
                           z3="8.55792"
                           zFract="0.38514491"/>
                     <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="6.28876"
                           xFract="0.74511374"
                           y3="2.07841"
                           yFract="0.24625711"
                           z3="4.37325"
                           zFract="0.19681593"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30107"
                           xFract="0.74657227"
                           y3="2.06438"
                           yFract="0.24459479"
                           z3="8.51215"
                           zFract="0.38308506"/>
                     <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="-0.13272"
                           xFract="-0.01572512"
                           y3="6.33375"
                           yFract="0.75044431"
                           z3="6.44542"
                           zFract="0.29007291"/>
                     <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="2.0935"
                           xFract="0.24804502"
                           y3="4.16798"
                           yFract="0.49383649"
                           z3="6.43706"
                           zFract="0.28969667"/>
                     <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="0.02675"
                           xFract="0.00316943"
                           y3="4.23842"
                           yFract="0.50218246"
                           z3="4.14305"
                           zFract="0.1864559"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0783"
                           xFract="0.00927725"
                           y3="4.15192"
                           yFract="0.49193365"
                           z3="8.90107"
                           zFract="0.40058821"/>
                     <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="2.12485"
                           xFract="0.25175948"
                           y3="6.31478"
                           yFract="0.74819668"
                           z3="4.31783"
                           zFract="0.19432178"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11178"
                           xFract="0.2502109"
                           y3="6.41144"
                           yFract="0.75964929"
                           z3="8.5995"
                           zFract="0.3870162"/>
                     <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="4.35957"
                           xFract="0.51653673"
                           y3="6.33176"
                           yFract="0.75020853"
                           z3="6.53894"
                           zFract="0.29428173"/>
                     <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="6.3532"
                           xFract="0.75274882"
                           y3="4.12346"
                           yFract="0.48856161"
                           z3="6.47971"
                           zFract="0.29161611"/>
                     <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="4.19714"
                           xFract="0.49729147"
                           y3="4.2029"
                           yFract="0.49797393"
                           z3="4.39379"
                           zFract="0.19774032"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19832"
                           xFract="0.49743128"
                           y3="4.20421"
                           yFract="0.49812915"
                           z3="8.57631"
                           zFract="0.38597255"/>
                     <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="6.30114"
                           xFract="0.74658057"
                           y3="6.35449"
                           yFract="0.75290166"
                           z3="4.05565"
                           zFract="0.1825225"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3642"
                           xFract="0.75405213"
                           y3="6.35472"
                           yFract="0.75292891"
                           z3="8.78887"
                           zFract="0.3955387"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17364"
                           xFract="0.25754028"
                           y3="2.05041"
                           yFract="0.24293957"
                           z3="10.1446"
                           zFract="0.45655266"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34008"
                           xFract="0.75119431"
                           y3="2.09107"
                           yFract="0.24775711"
                           z3="6.44169"
                           zFract="0.28990504"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35765"
                           xFract="0.75327607"
                           y3="-0.03468"
                           yFract="-0.004109"
                           z3="8.53159"
                           zFract="0.38395995"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20952"
                           xFract="0.49875829"
                           y3="-0.01677"
                           yFract="-0.00198697"
                           z3="6.45697"
                           zFract="0.29059271"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02166"
                           xFract="0.00256635"
                           y3="0.02115"
                           yFract="0.00250592"
                           z3="6.47066"
                           zFract="0.29120882"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27941"
                           xFract="0.5070391"
                           y3="2.06337"
                           yFract="0.24447512"
                           z3="8.49457"
                           zFract="0.38229388"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26356"
                           xFract="0.50516114"
                           y3="6.35362"
                           yFract="0.75279858"
                           z3="8.56238"
                           zFract="0.38534563"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22799"
                           xFract="0.50094668"
                           y3="4.2395"
                           yFract="0.50231043"
                           z3="6.44809"
                           zFract="0.29019307"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11887"
                           xFract="0.25105095"
                           y3="4.25878"
                           yFract="0.50459479"
                           z3="4.2439"
                           zFract="0.1909946"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23871"
                           xFract="0.50221682"
                           y3="2.11762"
                           yFract="0.25090284"
                           z3="4.26752"
                           zFract="0.19205761"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4289"
                           xFract="0.76171801"
                           y3="4.21439"
                           yFract="0.49933531"
                           z3="8.54467"
                           zFract="0.3845486"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31064"
                           xFract="0.74770616"
                           y3="-0.01068"
                           yFract="-0.0012654"
                           z3="4.24155"
                           zFract="0.19088884"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12601"
                           xFract="0.25189692"
                           y3="-0.06088"
                           yFract="-0.00721327"
                           z3="8.76786"
                           zFract="0.39459316"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32902"
                           xFract="0.74988389"
                           y3="6.34182"
                           yFract="0.75140047"
                           z3="6.46536"
                           zFract="0.2909703"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13382"
                           xFract="0.25282227"
                           y3="6.37303"
                           yFract="0.75509834"
                           z3="6.43365"
                           zFract="0.2895432"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07018"
                           xFract="-0.00831517"
                           y3="2.09324"
                           yFract="0.24801422"
                           z3="8.74577"
                           zFract="0.39359901"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00036"
                           xFract="-0.00004265"
                           y3="4.20942"
                           yFract="0.49874645"
                           z3="6.44972"
                           zFract="0.29026643"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21353"
                           xFract="0.49923341"
                           y3="6.33416"
                           yFract="0.75049289"
                           z3="4.34131"
                           zFract="0.19537849"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31709"
                           xFract="0.74847038"
                           y3="4.2292"
                           yFract="0.50109005"
                           z3="4.26345"
                           zFract="0.19187444"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12259"
                           xFract="0.25149171"
                           y3="-0.02434"
                           yFract="-0.00288389"
                           z3="4.2662"
                           zFract="0.1919982"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04086"
                           xFract="-0.00484123"
                           y3="2.13741"
                           yFract="0.25324763"
                           z3="4.26875"
                           zFract="0.19211296"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00439"
                           xFract="-0.00052014"
                           y3="6.33387"
                           yFract="0.75045853"
                           z3="8.62769"
                           zFract="0.38828488"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07174"
                           xFract="0.24546682"
                           y3="2.09706"
                           yFract="0.24846682"
                           z3="6.24627"
                           zFract="0.28111026"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0098"
                           xFract="-0.00116114"
                           y3="6.30833"
                           yFract="0.74743246"
                           z3="4.32259"
                           zFract="0.194536"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07519"
                           xFract="0.24587559"
                           y3="4.30585"
                           yFract="0.5101718"
                           z3="8.54433"
                           zFract="0.3845333"/>
                     <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="0.00825"
                           xFract="0.00097749"
                           y3="2.11324"
                           yFract="0.25038389"
                           z3="6.36028"
                           zFract="0.28624122"/>
                     <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="2.11652"
                           xFract="0.25077251"
                           y3="0.05371"
                           yFract="0.00636374"
                           z3="6.36962"
                           zFract="0.28666157"/>
                     <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="-0.04167"
                           xFract="-0.0049372"
                           y3="-0.01859"
                           yFract="-0.00220261"
                           z3="4.31131"
                           zFract="0.19402835"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06384"
                           xFract="-0.00756398"
                           y3="0.03231"
                           yFract="0.0038282"
                           z3="8.5707"
                           zFract="0.38572007"/>
                     <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="2.15078"
                           xFract="0.25483175"
                           y3="2.15162"
                           yFract="0.25493128"
                           z3="4.16586"
                           zFract="0.18748245"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29771"
                           xFract="0.27224052"
                           y3="1.92528"
                           yFract="0.22811374"
                           z3="9.18813"
                           zFract="0.4135072"/>
                     <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="4.16538"
                           xFract="0.49352844"
                           y3="2.10282"
                           yFract="0.24914929"
                           z3="6.44594"
                           zFract="0.29009631"/>
                     <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="6.31874"
                           xFract="0.74866588"
                           y3="0.09235"
                           yFract="0.01094194"
                           z3="6.43209"
                           zFract="0.289473"/>
                     <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="4.24631"
                           xFract="0.5031173"
                           y3="0.01678"
                           yFract="0.00198815"
                           z3="4.22579"
                           zFract="0.19017957"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33315"
                           xFract="0.5134064"
                           y3="-0.02112"
                           yFract="-0.00250237"
                           z3="8.55881"
                           zFract="0.38518497"/>
                     <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="6.28891"
                           xFract="0.74513152"
                           y3="2.07784"
                           yFract="0.24618957"
                           z3="4.37407"
                           zFract="0.19685284"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30182"
                           xFract="0.74666114"
                           y3="2.06435"
                           yFract="0.24459123"
                           z3="8.51317"
                           zFract="0.38313096"/>
                     <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="-0.13068"
                           xFract="-0.01548341"
                           y3="6.3343"
                           yFract="0.75050948"
                           z3="6.44764"
                           zFract="0.29017282"/>
                     <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="2.09389"
                           xFract="0.24809123"
                           y3="4.16744"
                           yFract="0.49377251"
                           z3="6.43755"
                           zFract="0.28971872"/>
                     <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="0.0275"
                           xFract="0.00325829"
                           y3="4.23859"
                           yFract="0.50220261"
                           z3="4.14178"
                           zFract="0.18639874"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07758"
                           xFract="0.00919194"
                           y3="4.15168"
                           yFract="0.49190521"
                           z3="8.90237"
                           zFract="0.40064671"/>
                     <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="2.12526"
                           xFract="0.25180806"
                           y3="6.31431"
                           yFract="0.748141"
                           z3="4.31869"
                           zFract="0.19436049"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1123"
                           xFract="0.25027251"
                           y3="6.41284"
                           yFract="0.75981517"
                           z3="8.60147"
                           zFract="0.38710486"/>
                     <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="4.36119"
                           xFract="0.51672867"
                           y3="6.33114"
                           yFract="0.75013507"
                           z3="6.54119"
                           zFract="0.29438299"/>
                     <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="6.35362"
                           xFract="0.75279858"
                           y3="4.12221"
                           yFract="0.48841351"
                           z3="6.48181"
                           zFract="0.29171062"/>
                     <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="4.19603"
                           xFract="0.49715995"
                           y3="4.20372"
                           yFract="0.49807109"
                           z3="4.39365"
                           zFract="0.19773402"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19994"
                           xFract="0.49762322"
                           y3="4.20486"
                           yFract="0.49820616"
                           z3="8.57847"
                           zFract="0.38606976"/>
                     <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="6.3008"
                           xFract="0.74654028"
                           y3="6.35501"
                           yFract="0.75296327"
                           z3="4.05356"
                           zFract="0.18242844"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36388"
                           xFract="0.75401422"
                           y3="6.35396"
                           yFract="0.75283886"
                           z3="8.79265"
                           zFract="0.39570882"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17405"
                           xFract="0.25758886"
                           y3="2.04928"
                           yFract="0.24280569"
                           z3="10.14566"
                           zFract="0.45660036"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33962"
                           xFract="0.75113981"
                           y3="2.09231"
                           yFract="0.24790403"
                           z3="6.44231"
                           zFract="0.28993294"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35759"
                           xFract="0.75326896"
                           y3="-0.03432"
                           yFract="-0.00406635"
                           z3="8.53242"
                           zFract="0.3839973"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2094"
                           xFract="0.49874408"
                           y3="-0.0167"
                           yFract="-0.00197867"
                           z3="6.45735"
                           zFract="0.29060981"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02236"
                           xFract="0.00264929"
                           y3="0.02141"
                           yFract="0.00253673"
                           z3="6.47116"
                           zFract="0.29123132"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2786"
                           xFract="0.50694313"
                           y3="2.06362"
                           yFract="0.24450474"
                           z3="8.49601"
                           zFract="0.38235869"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26357"
                           xFract="0.50516232"
                           y3="6.35339"
                           yFract="0.75277133"
                           z3="8.56357"
                           zFract="0.38539919"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22818"
                           xFract="0.50096919"
                           y3="4.23896"
                           yFract="0.50224645"
                           z3="6.44925"
                           zFract="0.29024527"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11827"
                           xFract="0.25097986"
                           y3="4.26006"
                           yFract="0.50474645"
                           z3="4.2440"
                           zFract="0.1909991"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24029"
                           xFract="0.50240403"
                           y3="2.11759"
                           yFract="0.25089929"
                           z3="4.26841"
                           zFract="0.19209766"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42936"
                           xFract="0.76177251"
                           y3="4.21374"
                           yFract="0.49925829"
                           z3="8.54577"
                           zFract="0.38459811"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31024"
                           xFract="0.74765877"
                           y3="-0.01025"
                           yFract="-0.00121445"
                           z3="4.24186"
                           zFract="0.19090279"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12644"
                           xFract="0.25194787"
                           y3="-0.06198"
                           yFract="-0.0073436"
                           z3="8.76841"
                           zFract="0.39461791"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32793"
                           xFract="0.74975474"
                           y3="6.34134"
                           yFract="0.7513436"
                           z3="6.46614"
                           zFract="0.2910054"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13377"
                           xFract="0.25281635"
                           y3="6.37264"
                           yFract="0.75505213"
                           z3="6.43431"
                           zFract="0.28957291"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07002"
                           xFract="-0.00829621"
                           y3="2.09299"
                           yFract="0.2479846"
                           z3="8.74789"
                           zFract="0.39369442"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00071"
                           xFract="-0.00008412"
                           y3="4.20937"
                           yFract="0.49874052"
                           z3="6.45053"
                           zFract="0.29030288"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21372"
                           xFract="0.49925592"
                           y3="6.33375"
                           yFract="0.75044431"
                           z3="4.34175"
                           zFract="0.19539829"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31722"
                           xFract="0.74848578"
                           y3="4.22888"
                           yFract="0.50105213"
                           z3="4.26427"
                           zFract="0.19191134"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12242"
                           xFract="0.25147156"
                           y3="-0.02473"
                           yFract="-0.00293009"
                           z3="4.26681"
                           zFract="0.19202565"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0416"
                           xFract="-0.00492891"
                           y3="2.13796"
                           yFract="0.2533128"
                           z3="4.26909"
                           zFract="0.19212826"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00375"
                           xFract="-0.00044431"
                           y3="6.33373"
                           yFract="0.75044194"
                           z3="8.6293"
                           zFract="0.38835734"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07223"
                           xFract="0.24552488"
                           y3="2.09669"
                           yFract="0.24842299"
                           z3="6.24796"
                           zFract="0.28118632"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0099"
                           xFract="-0.00117299"
                           y3="6.3074"
                           yFract="0.74732227"
                           z3="4.32331"
                           zFract="0.19456841"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07567"
                           xFract="0.24593246"
                           y3="4.30527"
                           yFract="0.51010308"
                           z3="8.54564"
                           zFract="0.38459226"/>
                     <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="0.00809"
                           xFract="0.00095853"
                           y3="2.11379"
                           yFract="0.25044905"
                           z3="6.36098"
                           zFract="0.28627273"/>
                     <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="2.11628"
                           xFract="0.25074408"
                           y3="0.05361"
                           yFract="0.0063519"
                           z3="6.3704"
                           zFract="0.28669667"/>
                     <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="-0.04181"
                           xFract="-0.00495379"
                           y3="-0.01876"
                           yFract="-0.00222275"
                           z3="4.31133"
                           zFract="0.19402925"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06375"
                           xFract="-0.00755332"
                           y3="0.03216"
                           yFract="0.00381043"
                           z3="8.57126"
                           zFract="0.38574527"/>
                     <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="2.15091"
                           xFract="0.25484716"
                           y3="2.15141"
                           yFract="0.2549064"
                           z3="4.16508"
                           zFract="0.18744734"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.2983"
                           xFract="0.27231043"
                           y3="1.92612"
                           yFract="0.22821327"
                           z3="9.18965"
                           zFract="0.41357561"/>
                     <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="4.16499"
                           xFract="0.49348223"
                           y3="2.10289"
                           yFract="0.24915758"
                           z3="6.44562"
                           zFract="0.29008191"/>
                     <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="6.31923"
                           xFract="0.74872393"
                           y3="0.09162"
                           yFract="0.01085545"
                           z3="6.43218"
                           zFract="0.28947705"/>
                     <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="4.24642"
                           xFract="0.50313033"
                           y3="0.01633"
                           yFract="0.00193483"
                           z3="4.22571"
                           zFract="0.19017597"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33297"
                           xFract="0.51338507"
                           y3="-0.02232"
                           yFract="-0.00264455"
                           z3="8.55925"
                           zFract="0.38520477"/>
                     <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="6.28898"
                           xFract="0.74513981"
                           y3="2.07756"
                           yFract="0.2461564"
                           z3="4.37447"
                           zFract="0.19687084"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30219"
                           xFract="0.74670498"
                           y3="2.06433"
                           yFract="0.24458886"
                           z3="8.51367"
                           zFract="0.38315347"/>
                     <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="-0.12969"
                           xFract="-0.01536611"
                           y3="6.33457"
                           yFract="0.75054147"
                           z3="6.44872"
                           zFract="0.29022142"/>
                     <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="2.09408"
                           xFract="0.24811374"
                           y3="4.16718"
                           yFract="0.49374171"
                           z3="6.43779"
                           zFract="0.28972952"/>
                     <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="0.02786"
                           xFract="0.00330095"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="4.14116"
                           zFract="0.18637084"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07723"
                           xFract="0.00915047"
                           y3="4.15156"
                           yFract="0.491891"
                           z3="8.9030"
                           zFract="0.40067507"/>
                     <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="2.12545"
                           xFract="0.25183057"
                           y3="6.31408"
                           yFract="0.74811374"
                           z3="4.31911"
                           zFract="0.19437939"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11255"
                           xFract="0.25030213"
                           y3="6.41352"
                           yFract="0.75989573"
                           z3="8.60243"
                           zFract="0.38714806"/>
                     <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="4.36197"
                           xFract="0.51682109"
                           y3="6.33084"
                           yFract="0.75009953"
                           z3="6.54228"
                           zFract="0.29443204"/>
                     <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="6.35382"
                           xFract="0.75282227"
                           y3="4.1216"
                           yFract="0.48834123"
                           z3="6.48282"
                           zFract="0.29175608"/>
                     <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="4.19549"
                           xFract="0.49709597"
                           y3="4.20412"
                           yFract="0.49811848"
                           z3="4.39358"
                           zFract="0.19773087"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20073"
                           xFract="0.49771682"
                           y3="4.20517"
                           yFract="0.49824289"
                           z3="8.57952"
                           zFract="0.38611701"/>
                     <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="6.30063"
                           xFract="0.74652014"
                           y3="6.35527"
                           yFract="0.75299408"
                           z3="4.05254"
                           zFract="0.18238254"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36372"
                           xFract="0.75399526"
                           y3="6.35359"
                           yFract="0.75279502"
                           z3="8.79448"
                           zFract="0.39579118"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17399"
                           xFract="0.25758175"
                           y3="2.04846"
                           yFract="0.24270853"
                           z3="10.14872"
                           zFract="0.45673807"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3395"
                           xFract="0.75112559"
                           y3="2.09222"
                           yFract="0.24789336"
                           z3="6.44308"
                           zFract="0.2899676"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35757"
                           xFract="0.75326659"
                           y3="-0.03417"
                           yFract="-0.00404858"
                           z3="8.53293"
                           zFract="0.38402025"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20939"
                           xFract="0.49874289"
                           y3="-0.01683"
                           yFract="-0.00199408"
                           z3="6.45792"
                           zFract="0.29063546"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02279"
                           xFract="0.00270024"
                           y3="0.02177"
                           yFract="0.00257938"
                           z3="6.47176"
                           zFract="0.29125833"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27837"
                           xFract="0.50691588"
                           y3="2.06357"
                           yFract="0.24449882"
                           z3="8.4971"
                           zFract="0.38240774"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26376"
                           xFract="0.50518483"
                           y3="6.3531"
                           yFract="0.75273697"
                           z3="8.56465"
                           zFract="0.38544779"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22816"
                           xFract="0.50096682"
                           y3="4.23862"
                           yFract="0.50220616"
                           z3="6.44994"
                           zFract="0.29027633"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11791"
                           xFract="0.2509372"
                           y3="4.26039"
                           yFract="0.50478555"
                           z3="4.24399"
                           zFract="0.19099865"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2409"
                           xFract="0.5024763"
                           y3="2.11759"
                           yFract="0.25089929"
                           z3="4.26884"
                           zFract="0.19211701"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.42989"
                           xFract="0.76183531"
                           y3="4.21312"
                           yFract="0.49918483"
                           z3="8.54686"
                           zFract="0.38464716"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31026"
                           xFract="0.74766114"
                           y3="-0.01003"
                           yFract="-0.00118839"
                           z3="4.24224"
                           zFract="0.19091989"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12669"
                           xFract="0.25197749"
                           y3="-0.06222"
                           yFract="-0.00737204"
                           z3="8.7692"
                           zFract="0.39465347"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32821"
                           xFract="0.74978791"
                           y3="6.34118"
                           yFract="0.75132464"
                           z3="6.46668"
                           zFract="0.2910297"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1338"
                           xFract="0.25281991"
                           y3="6.3722"
                           yFract="0.7550"
                           z3="6.43499"
                           zFract="0.28960351"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06967"
                           xFract="-0.00825474"
                           y3="2.09264"
                           yFract="0.24794313"
                           z3="8.7495"
                           zFract="0.39376688"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00075"
                           xFract="-0.00008886"
                           y3="4.20925"
                           yFract="0.4987263"
                           z3="6.45131"
                           zFract="0.29033798"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21396"
                           xFract="0.49928436"
                           y3="6.33338"
                           yFract="0.75040047"
                           z3="4.34202"
                           zFract="0.19541044"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3173"
                           xFract="0.74849526"
                           y3="4.22878"
                           yFract="0.50104028"
                           z3="4.26473"
                           zFract="0.19193204"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12217"
                           xFract="0.25144194"
                           y3="-0.02477"
                           yFract="-0.00293483"
                           z3="4.26722"
                           zFract="0.1920441"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0418"
                           xFract="-0.00495261"
                           y3="2.1383"
                           yFract="0.25335308"
                           z3="4.26936"
                           zFract="0.19214041"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00358"
                           xFract="-0.00042417"
                           y3="6.33348"
                           yFract="0.75041232"
                           z3="8.6306"
                           zFract="0.38841584"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07244"
                           xFract="0.24554976"
                           y3="2.09645"
                           yFract="0.24839455"
                           z3="6.24865"
                           zFract="0.28121737"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01026"
                           xFract="-0.00121564"
                           y3="6.30693"
                           yFract="0.74726659"
                           z3="4.32414"
                           zFract="0.19460576"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07606"
                           xFract="0.24597867"
                           y3="4.30496"
                           yFract="0.51006635"
                           z3="8.54669"
                           zFract="0.38463951"/>
                     <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="0.00809"
                           xFract="0.00095853"
                           y3="2.11433"
                           yFract="0.25051303"
                           z3="6.36128"
                           zFract="0.28628623"/>
                     <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="2.11629"
                           xFract="0.25074526"
                           y3="0.05371"
                           yFract="0.00636374"
                           z3="6.37103"
                           zFract="0.28672502"/>
                     <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="-0.04188"
                           xFract="-0.00496209"
                           y3="-0.01903"
                           yFract="-0.00225474"
                           z3="4.31131"
                           zFract="0.19402835"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06369"
                           xFract="-0.00754621"
                           y3="0.03188"
                           yFract="0.00377725"
                           z3="8.57186"
                           zFract="0.38577228"/>
                     <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="2.15109"
                           xFract="0.25486848"
                           y3="2.15121"
                           yFract="0.2548827"
                           z3="4.16477"
                           zFract="0.18743339"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29955"
                           xFract="0.27245853"
                           y3="1.92647"
                           yFract="0.22825474"
                           z3="9.18881"
                           zFract="0.4135378"/>
                     <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="4.16484"
                           xFract="0.49346445"
                           y3="2.10307"
                           yFract="0.24917891"
                           z3="6.44579"
                           zFract="0.29008956"/>
                     <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="6.31941"
                           xFract="0.74874526"
                           y3="0.09149"
                           yFract="0.01084005"
                           z3="6.43243"
                           zFract="0.2894883"/>
                     <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="4.24655"
                           xFract="0.50314573"
                           y3="0.01546"
                           yFract="0.00183175"
                           z3="4.2256"
                           zFract="0.19017102"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33257"
                           xFract="0.51333768"
                           y3="-0.02283"
                           yFract="-0.00270498"
                           z3="8.55975"
                           zFract="0.38522727"/>
                     <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="6.28905"
                           xFract="0.7451481"
                           y3="2.07765"
                           yFract="0.24616706"
                           z3="4.37521"
                           zFract="0.19690414"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30152"
                           xFract="0.74662559"
                           y3="2.06436"
                           yFract="0.24459242"
                           z3="8.51405"
                           zFract="0.38317057"/>
                     <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="-0.12926"
                           xFract="-0.01531517"
                           y3="6.33456"
                           yFract="0.75054028"
                           z3="6.44944"
                           zFract="0.29025383"/>
                     <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="2.09391"
                           xFract="0.2480936"
                           y3="4.16681"
                           yFract="0.49369787"
                           z3="6.43819"
                           zFract="0.28974752"/>
                     <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="0.02795"
                           xFract="0.00331161"
                           y3="4.23885"
                           yFract="0.50223341"
                           z3="4.14065"
                           zFract="0.18634788"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07736"
                           xFract="0.00916588"
                           y3="4.1519"
                           yFract="0.49193128"
                           z3="8.90347"
                           zFract="0.40069622"/>
                     <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="2.12583"
                           xFract="0.25187559"
                           y3="6.31409"
                           yFract="0.74811493"
                           z3="4.31947"
                           zFract="0.19439559"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11282"
                           xFract="0.25033412"
                           y3="6.41337"
                           yFract="0.75987796"
                           z3="8.60333"
                           zFract="0.38718857"/>
                     <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="4.36201"
                           xFract="0.51682583"
                           y3="6.33044"
                           yFract="0.75005213"
                           z3="6.54307"
                           zFract="0.2944676"/>
                     <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="6.35398"
                           xFract="0.75284123"
                           y3="4.12134"
                           yFract="0.48831043"
                           z3="6.48349"
                           zFract="0.29178623"/>
                     <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="4.19524"
                           xFract="0.49706635"
                           y3="4.20486"
                           yFract="0.49820616"
                           z3="4.3938"
                           zFract="0.19774077"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20142"
                           xFract="0.49779858"
                           y3="4.20531"
                           yFract="0.49825948"
                           z3="8.58029"
                           zFract="0.38615167"/>
                     <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="6.3003"
                           xFract="0.74648104"
                           y3="6.35523"
                           yFract="0.75298934"
                           z3="4.05182"
                           zFract="0.18235014"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36352"
                           xFract="0.75397156"
                           y3="6.35335"
                           yFract="0.75276659"
                           z3="8.79628"
                           zFract="0.39587219"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17397"
                           xFract="0.25757938"
                           y3="2.0482"
                           yFract="0.24267773"
                           z3="10.14966"
                           zFract="0.45678038"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33946"
                           xFract="0.75112085"
                           y3="2.09219"
                           yFract="0.24788981"
                           z3="6.44331"
                           zFract="0.28997795"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35757"
                           xFract="0.75326659"
                           y3="-0.03413"
                           yFract="-0.00404384"
                           z3="8.53309"
                           zFract="0.38402745"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20939"
                           xFract="0.49874289"
                           y3="-0.01687"
                           yFract="-0.00199882"
                           z3="6.4581"
                           zFract="0.29064356"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02292"
                           xFract="0.00271564"
                           y3="0.02189"
                           yFract="0.0025936"
                           z3="6.47195"
                           zFract="0.29126688"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2783"
                           xFract="0.50690758"
                           y3="2.06355"
                           yFract="0.24449645"
                           z3="8.49744"
                           zFract="0.38242304"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26382"
                           xFract="0.50519194"
                           y3="6.35302"
                           yFract="0.75272749"
                           z3="8.56498"
                           zFract="0.38546265"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22816"
                           xFract="0.50096682"
                           y3="4.23852"
                           yFract="0.50219431"
                           z3="6.45015"
                           zFract="0.29028578"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1178"
                           xFract="0.25092417"
                           y3="4.26049"
                           yFract="0.50479739"
                           z3="4.24399"
                           zFract="0.19099865"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24109"
                           xFract="0.50249882"
                           y3="2.11759"
                           yFract="0.25089929"
                           z3="4.26897"
                           zFract="0.19212286"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43006"
                           xFract="0.76185545"
                           y3="4.21293"
                           yFract="0.49916232"
                           z3="8.54719"
                           zFract="0.38466202"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31027"
                           xFract="0.74766232"
                           y3="-0.00996"
                           yFract="-0.00118009"
                           z3="4.24236"
                           zFract="0.19092529"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12677"
                           xFract="0.25198697"
                           y3="-0.06229"
                           yFract="-0.00738033"
                           z3="8.76944"
                           zFract="0.39466427"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32829"
                           xFract="0.74979739"
                           y3="6.34114"
                           yFract="0.75131991"
                           z3="6.46685"
                           zFract="0.29103735"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1338"
                           xFract="0.25281991"
                           y3="6.37207"
                           yFract="0.7549846"
                           z3="6.4352"
                           zFract="0.28961296"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06956"
                           xFract="-0.00824171"
                           y3="2.09253"
                           yFract="0.24793009"
                           z3="8.75001"
                           zFract="0.39378983"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00077"
                           xFract="-0.00009123"
                           y3="4.20922"
                           yFract="0.49872275"
                           z3="6.45155"
                           zFract="0.29034878"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21404"
                           xFract="0.49929384"
                           y3="6.33326"
                           yFract="0.75038626"
                           z3="4.3421"
                           zFract="0.19541404"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31732"
                           xFract="0.74849763"
                           y3="4.22875"
                           yFract="0.50103673"
                           z3="4.26487"
                           zFract="0.19193834"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12209"
                           xFract="0.25143246"
                           y3="-0.02478"
                           yFract="-0.00293602"
                           z3="4.26735"
                           zFract="0.19204995"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04186"
                           xFract="-0.00495972"
                           y3="2.13841"
                           yFract="0.25336611"
                           z3="4.26944"
                           zFract="0.19214401"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00353"
                           xFract="-0.00041825"
                           y3="6.3334"
                           yFract="0.75040284"
                           z3="8.6310"
                           zFract="0.38843384"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07251"
                           xFract="0.24555806"
                           y3="2.09638"
                           yFract="0.24838626"
                           z3="6.24887"
                           zFract="0.28122727"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01038"
                           xFract="-0.00122986"
                           y3="6.30679"
                           yFract="0.74725"
                           z3="4.32439"
                           zFract="0.19461701"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07617"
                           xFract="0.24599171"
                           y3="4.30487"
                           yFract="0.51005569"
                           z3="8.54701"
                           zFract="0.38465392"/>
                     <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="0.00809"
                           xFract="0.00095853"
                           y3="2.11449"
                           yFract="0.25053199"
                           z3="6.36137"
                           zFract="0.28629028"/>
                     <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="2.1163"
                           xFract="0.25074645"
                           y3="0.05374"
                           yFract="0.0063673"
                           z3="6.37123"
                           zFract="0.28673402"/>
                     <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="-0.0419"
                           xFract="-0.00496445"
                           y3="-0.01911"
                           yFract="-0.00226422"
                           z3="4.3113"
                           zFract="0.1940279"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06368"
                           xFract="-0.00754502"
                           y3="0.03179"
                           yFract="0.00376659"
                           z3="8.57205"
                           zFract="0.38578083"/>
                     <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="2.15115"
                           xFract="0.25487559"
                           y3="2.15114"
                           yFract="0.25487441"
                           z3="4.16467"
                           zFract="0.18742889"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.29994"
                           xFract="0.27250474"
                           y3="1.92658"
                           yFract="0.22826777"
                           z3="9.18855"
                           zFract="0.4135261"/>
                     <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="4.16479"
                           xFract="0.49345853"
                           y3="2.10313"
                           yFract="0.24918602"
                           z3="6.44584"
                           zFract="0.29009181"/>
                     <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="6.31946"
                           xFract="0.74875118"
                           y3="0.09144"
                           yFract="0.01083412"
                           z3="6.43251"
                           zFract="0.2894919"/>
                     <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="4.24659"
                           xFract="0.50315047"
                           y3="0.01519"
                           yFract="0.00179976"
                           z3="4.22557"
                           zFract="0.19016967"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33245"
                           xFract="0.51332346"
                           y3="-0.02299"
                           yFract="-0.00272393"
                           z3="8.5599"
                           zFract="0.38523402"/>
                     <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="6.28907"
                           xFract="0.74515047"
                           y3="2.07768"
                           yFract="0.24617062"
                           z3="4.37544"
                           zFract="0.19691449"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30131"
                           xFract="0.74660071"
                           y3="2.06437"
                           yFract="0.2445936"
                           z3="8.51417"
                           zFract="0.38317597"/>
                     <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="-0.12913"
                           xFract="-0.01529976"
                           y3="6.33456"
                           yFract="0.75054028"
                           z3="6.44966"
                           zFract="0.29026373"/>
                     <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="2.09386"
                           xFract="0.24808768"
                           y3="4.1667"
                           yFract="0.49368483"
                           z3="6.43831"
                           zFract="0.28975293"/>
                     <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="0.02797"
                           xFract="0.00331398"
                           y3="4.2389"
                           yFract="0.50223934"
                           z3="4.14049"
                           zFract="0.18634068"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0774"
                           xFract="0.00917062"
                           y3="4.1520"
                           yFract="0.49194313"
                           z3="8.90362"
                           zFract="0.40070297"/>
                     <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="2.12594"
                           xFract="0.25188863"
                           y3="6.3141"
                           yFract="0.74811611"
                           z3="4.31959"
                           zFract="0.19440099"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1129"
                           xFract="0.2503436"
                           y3="6.41332"
                           yFract="0.75987204"
                           z3="8.60361"
                           zFract="0.38720117"/>
                     <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="4.36202"
                           xFract="0.51682701"
                           y3="6.33032"
                           yFract="0.75003791"
                           z3="6.54331"
                           zFract="0.2944784"/>
                     <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="6.35403"
                           xFract="0.75284716"
                           y3="4.12126"
                           yFract="0.48830095"
                           z3="6.48369"
                           zFract="0.29179523"/>
                     <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="4.19516"
                           xFract="0.49705687"
                           y3="4.20509"
                           yFract="0.49823341"
                           z3="4.39386"
                           zFract="0.19774347"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20163"
                           xFract="0.49782346"
                           y3="4.20536"
                           yFract="0.4982654"
                           z3="8.58054"
                           zFract="0.38616292"/>
                     <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="6.3002"
                           xFract="0.74646919"
                           y3="6.35522"
                           yFract="0.75298815"
                           z3="4.05159"
                           zFract="0.18233978"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36345"
                           xFract="0.75396327"
                           y3="6.35328"
                           yFract="0.75275829"
                           z3="8.79683"
                           zFract="0.39589694"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17394"
                           xFract="0.25757583"
                           y3="2.04769"
                           yFract="0.2426173"
                           z3="10.15156"
                           zFract="0.45686589"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33938"
                           xFract="0.75111137"
                           y3="2.09213"
                           yFract="0.2478827"
                           z3="6.44379"
                           zFract="0.28999955"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35756"
                           xFract="0.7532654"
                           y3="-0.03403"
                           yFract="-0.00403199"
                           z3="8.5334"
                           zFract="0.3840414"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20939"
                           xFract="0.49874289"
                           y3="-0.01695"
                           yFract="-0.00200829"
                           z3="6.45846"
                           zFract="0.29065977"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02318"
                           xFract="0.00274645"
                           y3="0.02211"
                           yFract="0.00261967"
                           z3="6.47232"
                           zFract="0.29128353"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27815"
                           xFract="0.50688981"
                           y3="2.06353"
                           yFract="0.24449408"
                           z3="8.49812"
                           zFract="0.38245365"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26394"
                           xFract="0.50520616"
                           y3="6.35284"
                           yFract="0.75270616"
                           z3="8.56565"
                           zFract="0.3854928"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22815"
                           xFract="0.50096564"
                           y3="4.23831"
                           yFract="0.50216943"
                           z3="6.45058"
                           zFract="0.29030513"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11757"
                           xFract="0.25089692"
                           y3="4.2607"
                           yFract="0.50482227"
                           z3="4.24399"
                           zFract="0.19099865"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24147"
                           xFract="0.50254384"
                           y3="2.11759"
                           yFract="0.25089929"
                           z3="4.26924"
                           zFract="0.19213501"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43039"
                           xFract="0.76189455"
                           y3="4.21255"
                           yFract="0.4991173"
                           z3="8.54787"
                           zFract="0.38469262"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31029"
                           xFract="0.74766469"
                           y3="-0.00983"
                           yFract="-0.00116469"
                           z3="4.24259"
                           zFract="0.19093564"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12693"
                           xFract="0.25200592"
                           y3="-0.06244"
                           yFract="-0.0073981"
                           z3="8.76993"
                           zFract="0.39468632"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32847"
                           xFract="0.74981872"
                           y3="6.34104"
                           yFract="0.75130806"
                           z3="6.46719"
                           zFract="0.29105266"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13382"
                           xFract="0.25282227"
                           y3="6.37179"
                           yFract="0.75495142"
                           z3="6.43562"
                           zFract="0.28963186"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06934"
                           xFract="-0.00821564"
                           y3="2.09231"
                           yFract="0.24790403"
                           z3="8.75101"
                           zFract="0.39383483"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00079"
                           xFract="-0.0000936"
                           y3="4.20914"
                           yFract="0.49871327"
                           z3="6.45204"
                           zFract="0.29037084"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21419"
                           xFract="0.49931161"
                           y3="6.33303"
                           yFract="0.750359"
                           z3="4.34227"
                           zFract="0.19542169"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31737"
                           xFract="0.74850355"
                           y3="4.22869"
                           yFract="0.50102962"
                           z3="4.26516"
                           zFract="0.1919514"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12194"
                           xFract="0.25141469"
                           y3="-0.02481"
                           yFract="-0.00293957"
                           z3="4.2676"
                           zFract="0.19206121"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04199"
                           xFract="-0.00497512"
                           y3="2.13862"
                           yFract="0.253391"
                           z3="4.2696"
                           zFract="0.19215122"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00342"
                           xFract="-0.00040521"
                           y3="6.33324"
                           yFract="0.75038389"
                           z3="8.6318"
                           zFract="0.38846985"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07265"
                           xFract="0.24557464"
                           y3="2.09623"
                           yFract="0.24836848"
                           z3="6.2493"
                           zFract="0.28124662"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0106"
                           xFract="-0.00125592"
                           y3="6.30649"
                           yFract="0.74721445"
                           z3="4.32491"
                           zFract="0.19464041"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07641"
                           xFract="0.24602014"
                           y3="4.30468"
                           yFract="0.51003318"
                           z3="8.54767"
                           zFract="0.38468362"/>
                     <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="0.00809"
                           xFract="0.00095853"
                           y3="2.11483"
                           yFract="0.25057227"
                           z3="6.36156"
                           zFract="0.28629883"/>
                     <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="2.11631"
                           xFract="0.25074763"
                           y3="0.05381"
                           yFract="0.00637559"
                           z3="6.37163"
                           zFract="0.28675203"/>
                     <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="-0.04194"
                           xFract="-0.00496919"
                           y3="-0.01928"
                           yFract="-0.00228436"
                           z3="4.31128"
                           zFract="0.194027"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06364"
                           xFract="-0.00754028"
                           y3="0.03162"
                           yFract="0.00374645"
                           z3="8.57242"
                           zFract="0.38579748"/>
                     <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="2.15126"
                           xFract="0.25488863"
                           y3="2.15102"
                           yFract="0.25486019"
                           z3="4.16448"
                           zFract="0.18742034"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30072"
                           xFract="0.27259716"
                           y3="1.92679"
                           yFract="0.22829265"
                           z3="9.18804"
                           zFract="0.41350315"/>
                     <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="4.1647"
                           xFract="0.49344787"
                           y3="2.10324"
                           yFract="0.24919905"
                           z3="6.44595"
                           zFract="0.29009676"/>
                     <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="6.31957"
                           xFract="0.74876422"
                           y3="0.09136"
                           yFract="0.01082464"
                           z3="6.43267"
                           zFract="0.2894991"/>
                     <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="4.24667"
                           xFract="0.50315995"
                           y3="0.01465"
                           yFract="0.00173578"
                           z3="4.2255"
                           zFract="0.19016652"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33221"
                           xFract="0.51329502"
                           y3="-0.02331"
                           yFract="-0.00276185"
                           z3="8.56022"
                           zFract="0.38524842"/>
                     <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="6.28912"
                           xFract="0.7451564"
                           y3="2.07773"
                           yFract="0.24617654"
                           z3="4.3759"
                           zFract="0.19693519"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3009"
                           xFract="0.74655213"
                           y3="2.06438"
                           yFract="0.24459479"
                           z3="8.51441"
                           zFract="0.38318677"/>
                     <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="-0.12887"
                           xFract="-0.01526896"
                           y3="6.33456"
                           yFract="0.75054028"
                           z3="6.45011"
                           zFract="0.29028398"/>
                     <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="2.09376"
                           xFract="0.24807583"
                           y3="4.16647"
                           yFract="0.49365758"
                           z3="6.43856"
                           zFract="0.28976418"/>
                     <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="0.02803"
                           xFract="0.00332109"
                           y3="4.23901"
                           yFract="0.50225237"
                           z3="4.14018"
                           zFract="0.18632673"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07748"
                           xFract="0.00918009"
                           y3="4.15221"
                           yFract="0.49196801"
                           z3="8.90391"
                           zFract="0.40071602"/>
                     <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="2.12618"
                           xFract="0.25191706"
                           y3="6.31411"
                           yFract="0.7481173"
                           z3="4.31981"
                           zFract="0.19441089"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11306"
                           xFract="0.25036256"
                           y3="6.41322"
                           yFract="0.75986019"
                           z3="8.60417"
                           zFract="0.38722637"/>
                     <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="4.36204"
                           xFract="0.51682938"
                           y3="6.33007"
                           yFract="0.75000829"
                           z3="6.5438"
                           zFract="0.29450045"/>
                     <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="6.35414"
                           xFract="0.75286019"
                           y3="4.12111"
                           yFract="0.48828318"
                           z3="6.4841"
                           zFract="0.29181368"/>
                     <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="4.1950"
                           xFract="0.49703791"
                           y3="4.20555"
                           yFract="0.49828791"
                           z3="4.39399"
                           zFract="0.19774932"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20206"
                           xFract="0.49787441"
                           y3="4.20545"
                           yFract="0.49827607"
                           z3="8.58102"
                           zFract="0.38618452"/>
                     <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="6.3000"
                           xFract="0.7464455"
                           y3="6.3552"
                           yFract="0.75298578"
                           z3="4.05115"
                           zFract="0.18231998"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36332"
                           xFract="0.75394787"
                           y3="6.35313"
                           yFract="0.75274052"
                           z3="8.79795"
                           zFract="0.39594734"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17405"
                           xFract="0.25758886"
                           y3="2.04686"
                           yFract="0.24251896"
                           z3="10.1525"
                           zFract="0.45690819"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33939"
                           xFract="0.75111256"
                           y3="2.09168"
                           yFract="0.24782938"
                           z3="6.44445"
                           zFract="0.29002925"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35758"
                           xFract="0.75326777"
                           y3="-0.03399"
                           yFract="-0.00402725"
                           z3="8.53371"
                           zFract="0.38405536"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20941"
                           xFract="0.49874526"
                           y3="-0.01712"
                           yFract="-0.00202844"
                           z3="6.45899"
                           zFract="0.29068362"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02341"
                           xFract="0.0027737"
                           y3="0.02244"
                           yFract="0.00265877"
                           z3="6.47286"
                           zFract="0.29130783"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27824"
                           xFract="0.50690047"
                           y3="2.0634"
                           yFract="0.24447867"
                           z3="8.49885"
                           zFract="0.3824865"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26418"
                           xFract="0.5052346"
                           y3="6.35258"
                           yFract="0.75267536"
                           z3="8.56648"
                           zFract="0.38553015"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2281"
                           xFract="0.50095972"
                           y3="4.23811"
                           yFract="0.50214573"
                           z3="6.45105"
                           zFract="0.29032628"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11735"
                           xFract="0.25087085"
                           y3="4.26063"
                           yFract="0.50481398"
                           z3="4.24397"
                           zFract="0.19099775"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24162"
                           xFract="0.50256161"
                           y3="2.1176"
                           yFract="0.25090047"
                           z3="4.26945"
                           zFract="0.19214446"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43084"
                           xFract="0.76194787"
                           y3="4.21206"
                           yFract="0.49905924"
                           z3="8.54874"
                           zFract="0.38473177"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31048"
                           xFract="0.7476872"
                           y3="-0.0097"
                           yFract="-0.00114929"
                           z3="4.24291"
                           zFract="0.19095005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12708"
                           xFract="0.2520237"
                           y3="-0.06239"
                           yFract="-0.00739218"
                           z3="8.77062"
                           zFract="0.39471737"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.32905"
                           xFract="0.74988744"
                           y3="6.34102"
                           yFract="0.75130569"
                           z3="6.46762"
                           zFract="0.29107201"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13387"
                           xFract="0.2528282"
                           y3="6.37144"
                           yFract="0.75490995"
                           z3="6.4362"
                           zFract="0.28965797"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06898"
                           xFract="-0.00817299"
                           y3="2.09202"
                           yFract="0.24786967"
                           z3="8.75218"
                           zFract="0.39388749"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00073"
                           xFract="-0.00008649"
                           y3="4.20903"
                           yFract="0.49870024"
                           z3="6.45268"
                           zFract="0.29039964"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21439"
                           xFract="0.49933531"
                           y3="6.33275"
                           yFract="0.75032583"
                           z3="4.34243"
                           zFract="0.19542889"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31742"
                           xFract="0.74850948"
                           y3="4.22865"
                           yFract="0.50102488"
                           z3="4.26542"
                           zFract="0.1919631"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12171"
                           xFract="0.25138744"
                           y3="-0.02474"
                           yFract="-0.00293128"
                           z3="4.26788"
                           zFract="0.19207381"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04197"
                           xFract="-0.00497275"
                           y3="2.13881"
                           yFract="0.25341351"
                           z3="4.26979"
                           zFract="0.19215977"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00346"
                           xFract="-0.00040995"
                           y3="6.33303"
                           yFract="0.750359"
                           z3="8.63278"
                           zFract="0.38851395"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07273"
                           xFract="0.24558412"
                           y3="2.0961"
                           yFract="0.24835308"
                           z3="6.24954"
                           zFract="0.28125743"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01097"
                           xFract="-0.00129976"
                           y3="6.30629"
                           yFract="0.74719076"
                           z3="4.32562"
                           zFract="0.19467237"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07668"
                           xFract="0.24605213"
                           y3="4.30451"
                           yFract="0.51001303"
                           z3="8.54844"
                           zFract="0.38471827"/>
                     <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="0.00815"
                           xFract="0.00096564"
                           y3="2.11524"
                           yFract="0.25062085"
                           z3="6.36168"
                           zFract="0.28630423"/>
                     <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="2.1164"
                           xFract="0.25075829"
                           y3="0.05391"
                           yFract="0.00638744"
                           z3="6.37209"
                           zFract="0.28677273"/>
                     <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="-0.04197"
                           xFract="-0.00497275"
                           y3="-0.01954"
                           yFract="-0.00231517"
                           z3="4.31128"
                           zFract="0.194027"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06359"
                           xFract="-0.00753436"
                           y3="0.03128"
                           yFract="0.00370616"
                           z3="8.57292"
                           zFract="0.38581998"/>
                     <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="2.15142"
                           xFract="0.25490758"
                           y3="2.15086"
                           yFract="0.25484123"
                           z3="4.16443"
                           zFract="0.18741809"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30164"
                           xFract="0.27270616"
                           y3="1.92717"
                           yFract="0.22833768"
                           z3="9.1889"
                           zFract="0.41354185"/>
                     <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="4.16466"
                           xFract="0.49344313"
                           y3="2.1034"
                           yFract="0.24921801"
                           z3="6.44625"
                           zFract="0.29011026"/>
                     <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="6.31962"
                           xFract="0.74877014"
                           y3="0.09139"
                           yFract="0.0108282"
                           z3="6.43294"
                           zFract="0.28951125"/>
                     <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="4.24676"
                           xFract="0.50317062"
                           y3="0.01371"
                           yFract="0.00162441"
                           z3="4.22542"
                           zFract="0.19016292"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33187"
                           xFract="0.51325474"
                           y3="-0.0235"
                           yFract="-0.00278436"
                           z3="8.56065"
                           zFract="0.38526778"/>
                     <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="6.28917"
                           xFract="0.74516232"
                           y3="2.0779"
                           yFract="0.24619668"
                           z3="4.37661"
                           zFract="0.19696715"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29996"
                           xFract="0.74644076"
                           y3="2.0644"
                           yFract="0.24459716"
                           z3="8.51475"
                           zFract="0.38320207"/>
                     <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="-0.12871"
                           xFract="-0.01525"
                           y3="6.33445"
                           yFract="0.75052725"
                           z3="6.45058"
                           zFract="0.29030513"/>
                     <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="2.09351"
                           xFract="0.24804621"
                           y3="4.16616"
                           yFract="0.49362085"
                           z3="6.43895"
                           zFract="0.28978173"/>
                     <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="0.02801"
                           xFract="0.00331872"
                           y3="4.23919"
                           yFract="0.5022737"
                           z3="4.13985"
                           zFract="0.18631188"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07775"
                           xFract="0.00921209"
                           y3="4.15266"
                           yFract="0.49202133"
                           z3="8.90428"
                           zFract="0.40073267"/>
                     <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="2.12658"
                           xFract="0.25196445"
                           y3="6.31419"
                           yFract="0.74812678"
                           z3="4.32014"
                           zFract="0.19442574"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11329"
                           xFract="0.25038981"
                           y3="6.41285"
                           yFract="0.75981635"
                           z3="8.6049"
                           zFract="0.38725923"/>
                     <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="4.36188"
                           xFract="0.51681043"
                           y3="6.32975"
                           yFract="0.74997038"
                           z3="6.54434"
                           zFract="0.29452475"/>
                     <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="6.35428"
                           xFract="0.75287678"
                           y3="4.12103"
                           yFract="0.4882737"
                           z3="6.48453"
                           zFract="0.29183303"/>
                     <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="4.20632"
                           yFract="0.49837915"
                           z3="4.39425"
                           zFract="0.19776103"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20255"
                           xFract="0.49793246"
                           y3="4.20549"
                           yFract="0.49828081"
                           z3="8.58157"
                           zFract="0.38620927"/>
                     <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="6.29963"
                           xFract="0.74640166"
                           y3="6.35508"
                           yFract="0.75297156"
                           z3="4.05062"
                           zFract="0.18229613"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36319"
                           xFract="0.75393246"
                           y3="6.35299"
                           yFract="0.75272393"
                           z3="8.7994"
                           zFract="0.3960126"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17426"
                           xFract="0.25761374"
                           y3="2.04532"
                           yFract="0.24233649"
                           z3="10.15423"
                           zFract="0.45698605"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3394"
                           xFract="0.75111374"
                           y3="2.09083"
                           yFract="0.24772867"
                           z3="6.44568"
                           zFract="0.29008461"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35761"
                           xFract="0.75327133"
                           y3="-0.03392"
                           yFract="-0.00401896"
                           z3="8.53428"
                           zFract="0.38408101"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20945"
                           xFract="0.49875"
                           y3="-0.01744"
                           yFract="-0.00206635"
                           z3="6.45999"
                           zFract="0.29072862"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02382"
                           xFract="0.00282227"
                           y3="0.02304"
                           yFract="0.00272986"
                           z3="6.47387"
                           zFract="0.29135329"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27839"
                           xFract="0.50691825"
                           y3="2.06317"
                           yFract="0.24445142"
                           z3="8.5002"
                           zFract="0.38254725"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26462"
                           xFract="0.50528673"
                           y3="6.3521"
                           yFract="0.75261848"
                           z3="8.56801"
                           zFract="0.38559901"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22801"
                           xFract="0.50094905"
                           y3="4.23775"
                           yFract="0.50210308"
                           z3="6.45192"
                           zFract="0.29036544"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11693"
                           xFract="0.25082109"
                           y3="4.26051"
                           yFract="0.50479976"
                           z3="4.24394"
                           zFract="0.1909964"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2419"
                           xFract="0.50259479"
                           y3="2.11762"
                           yFract="0.25090284"
                           z3="4.26983"
                           zFract="0.19216157"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43167"
                           xFract="0.76204621"
                           y3="4.21114"
                           yFract="0.49895024"
                           z3="8.55035"
                           zFract="0.38480423"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31084"
                           xFract="0.74772986"
                           y3="-0.00947"
                           yFract="-0.00112204"
                           z3="4.24349"
                           zFract="0.19097615"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12737"
                           xFract="0.25205806"
                           y3="-0.0623"
                           yFract="-0.00738152"
                           z3="8.77189"
                           zFract="0.39477453"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33014"
                           xFract="0.75001659"
                           y3="6.34097"
                           yFract="0.75129976"
                           z3="6.4684"
                           zFract="0.29110711"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13395"
                           xFract="0.25283768"
                           y3="6.3708"
                           yFract="0.75483412"
                           z3="6.43728"
                           zFract="0.28970657"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0683"
                           xFract="-0.00809242"
                           y3="2.09148"
                           yFract="0.24780569"
                           z3="8.75434"
                           zFract="0.3939847"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00062"
                           xFract="-0.00007346"
                           y3="4.2088"
                           yFract="0.49867299"
                           z3="6.45388"
                           zFract="0.29045365"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21477"
                           xFract="0.49938033"
                           y3="6.33225"
                           yFract="0.75026659"
                           z3="4.34273"
                           zFract="0.19544239"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31752"
                           xFract="0.74852133"
                           y3="4.22857"
                           yFract="0.5010154"
                           z3="4.26589"
                           zFract="0.19198425"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12128"
                           xFract="0.25133649"
                           y3="-0.02461"
                           yFract="-0.00291588"
                           z3="4.26839"
                           zFract="0.19209676"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04193"
                           xFract="-0.00496801"
                           y3="2.13917"
                           yFract="0.25345616"
                           z3="4.27014"
                           zFract="0.19217552"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00353"
                           xFract="-0.00041825"
                           y3="6.33262"
                           yFract="0.75031043"
                           z3="8.63459"
                           zFract="0.38859541"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07288"
                           xFract="0.2456019"
                           y3="2.09587"
                           yFract="0.24832583"
                           z3="6.24998"
                           zFract="0.28127723"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01164"
                           xFract="-0.00137915"
                           y3="6.3059"
                           yFract="0.74714455"
                           z3="4.32693"
                           zFract="0.19473132"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07719"
                           xFract="0.24611256"
                           y3="4.30419"
                           yFract="0.50997512"
                           z3="8.54987"
                           zFract="0.38478263"/>
                     <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="0.00828"
                           xFract="0.00098104"
                           y3="2.1160"
                           yFract="0.2507109"
                           z3="6.3619"
                           zFract="0.28631413"/>
                     <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="2.11657"
                           xFract="0.25077844"
                           y3="0.05411"
                           yFract="0.00641114"
                           z3="6.37295"
                           zFract="0.28681143"/>
                     <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="-0.04203"
                           xFract="-0.00497986"
                           y3="-0.02002"
                           yFract="-0.00237204"
                           z3="4.31129"
                           zFract="0.19402745"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06349"
                           xFract="-0.00752251"
                           y3="0.03065"
                           yFract="0.00363152"
                           z3="8.57384"
                           zFract="0.38586139"/>
                     <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="2.15171"
                           xFract="0.25494194"
                           y3="2.15058"
                           yFract="0.25480806"
                           z3="4.16434"
                           zFract="0.18741404"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30334"
                           xFract="0.27290758"
                           y3="1.92787"
                           yFract="0.22842062"
                           z3="9.1905"
                           zFract="0.41361386"/>
                     <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="4.16457"
                           xFract="0.49343246"
                           y3="2.1037"
                           yFract="0.24925355"
                           z3="6.44682"
                           zFract="0.29013591"/>
                     <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="6.3197"
                           xFract="0.74877962"
                           y3="0.09146"
                           yFract="0.01083649"
                           z3="6.43346"
                           zFract="0.28953465"/>
                     <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="4.24693"
                           xFract="0.50319076"
                           y3="0.01197"
                           yFract="0.00141825"
                           z3="4.22527"
                           zFract="0.19015617"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33123"
                           xFract="0.51317891"
                           y3="-0.02385"
                           yFract="-0.00282583"
                           z3="8.56145"
                           zFract="0.38530378"/>
                     <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="6.28927"
                           xFract="0.74517417"
                           y3="2.07821"
                           yFract="0.24623341"
                           z3="4.37792"
                           zFract="0.1970261"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29822"
                           xFract="0.7462346"
                           y3="2.06442"
                           yFract="0.24459953"
                           z3="8.51537"
                           zFract="0.38322997"/>
                     <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="-0.12841"
                           xFract="-0.01521445"
                           y3="6.33425"
                           yFract="0.75050355"
                           z3="6.45146"
                           zFract="0.29034473"/>
                     <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="2.09305"
                           xFract="0.24799171"
                           y3="4.16559"
                           yFract="0.49355332"
                           z3="6.43969"
                           zFract="0.28981503"/>
                     <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="0.02797"
                           xFract="0.00331398"
                           y3="4.23953"
                           yFract="0.50231398"
                           z3="4.13923"
                           zFract="0.18628398"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07825"
                           xFract="0.00927133"
                           y3="4.15349"
                           yFract="0.49211967"
                           z3="8.90496"
                           zFract="0.40076328"/>
                     <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="2.12731"
                           xFract="0.25205095"
                           y3="6.31435"
                           yFract="0.74814573"
                           z3="4.32075"
                           zFract="0.1944532"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1137"
                           xFract="0.25043839"
                           y3="6.41217"
                           yFract="0.75973578"
                           z3="8.60624"
                           zFract="0.38731953"/>
                     <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="4.36159"
                           xFract="0.51677607"
                           y3="6.32916"
                           yFract="0.74990047"
                           z3="6.54534"
                           zFract="0.29456976"/>
                     <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="6.35455"
                           xFract="0.75290877"
                           y3="4.12089"
                           yFract="0.48825711"
                           z3="6.48533"
                           zFract="0.29186904"/>
                     <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="4.19474"
                           xFract="0.49700711"
                           y3="4.20776"
                           yFract="0.49854976"
                           z3="4.39474"
                           zFract="0.19778308"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20344"
                           xFract="0.49803791"
                           y3="4.20557"
                           yFract="0.49829028"
                           z3="8.5826"
                           zFract="0.38625563"/>
                     <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="6.29894"
                           xFract="0.74631991"
                           y3="6.35486"
                           yFract="0.7529455"
                           z3="4.04966"
                           zFract="0.18225293"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36294"
                           xFract="0.75390284"
                           y3="6.35273"
                           yFract="0.75269313"
                           z3="8.8021"
                           zFract="0.39613411"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17469"
                           xFract="0.25766469"
                           y3="2.04224"
                           yFract="0.24197156"
                           z3="10.15771"
                           zFract="0.45714266"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33942"
                           xFract="0.75111611"
                           y3="2.08914"
                           yFract="0.24752844"
                           z3="6.44814"
                           zFract="0.29019532"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35767"
                           xFract="0.75327844"
                           y3="-0.03378"
                           yFract="-0.00400237"
                           z3="8.53541"
                           zFract="0.38413186"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20954"
                           xFract="0.49876066"
                           y3="-0.01807"
                           yFract="-0.002141"
                           z3="6.46197"
                           zFract="0.29081773"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02466"
                           xFract="0.0029218"
                           y3="0.02425"
                           yFract="0.00287322"
                           z3="6.4759"
                           zFract="0.29144464"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27869"
                           xFract="0.50695379"
                           y3="2.0627"
                           yFract="0.24439573"
                           z3="8.50292"
                           zFract="0.38266967"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2655"
                           xFract="0.505391"
                           y3="6.35113"
                           yFract="0.75250355"
                           z3="8.57109"
                           zFract="0.38573762"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22783"
                           xFract="0.50092773"
                           y3="4.23701"
                           yFract="0.5020154"
                           z3="6.45365"
                           zFract="0.29044329"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1161"
                           xFract="0.25072275"
                           y3="4.26026"
                           yFract="0.50477014"
                           z3="4.24388"
                           zFract="0.1909937"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24246"
                           xFract="0.50266114"
                           y3="2.11766"
                           yFract="0.25090758"
                           z3="4.27059"
                           zFract="0.19219577"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43334"
                           xFract="0.76224408"
                           y3="4.20931"
                           yFract="0.49873341"
                           z3="8.55358"
                           zFract="0.38494959"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31155"
                           xFract="0.74781398"
                           y3="-0.0090"
                           yFract="-0.00106635"
                           z3="4.24466"
                           zFract="0.1910288"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12795"
                           xFract="0.25212678"
                           y3="-0.06212"
                           yFract="-0.00736019"
                           z3="8.77444"
                           zFract="0.39488929"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33232"
                           xFract="0.75027488"
                           y3="6.34087"
                           yFract="0.75128791"
                           z3="6.46997"
                           zFract="0.29117777"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13412"
                           xFract="0.25285782"
                           y3="6.3695"
                           yFract="0.75468009"
                           z3="6.43943"
                           zFract="0.28980333"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06695"
                           xFract="-0.00793246"
                           y3="2.09041"
                           yFract="0.24767891"
                           z3="8.75866"
                           zFract="0.39417912"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00041"
                           xFract="-0.00004858"
                           y3="4.20836"
                           yFract="0.49862085"
                           z3="6.45627"
                           zFract="0.29056121"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21553"
                           xFract="0.49947038"
                           y3="6.33124"
                           yFract="0.75014692"
                           z3="4.34333"
                           zFract="0.1954694"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31772"
                           xFract="0.74854502"
                           y3="4.22841"
                           yFract="0.50099645"
                           z3="4.26685"
                           zFract="0.19202745"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12044"
                           xFract="0.25123697"
                           y3="-0.02434"
                           yFract="-0.00288389"
                           z3="4.26942"
                           zFract="0.19214311"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04186"
                           xFract="-0.00495972"
                           y3="2.13988"
                           yFract="0.25354028"
                           z3="4.27083"
                           zFract="0.19220657"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00368"
                           xFract="-0.00043602"
                           y3="6.33182"
                           yFract="0.75021564"
                           z3="8.63822"
                           zFract="0.38875878"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07318"
                           xFract="0.24563744"
                           y3="2.09539"
                           yFract="0.24826896"
                           z3="6.25087"
                           zFract="0.28131728"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01299"
                           xFract="-0.0015391"
                           y3="6.30512"
                           yFract="0.74705213"
                           z3="4.32956"
                           zFract="0.19484968"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07821"
                           xFract="0.24623341"
                           y3="4.30356"
                           yFract="0.50990047"
                           z3="8.55273"
                           zFract="0.38491134"/>
                     <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="0.00853"
                           xFract="0.00101066"
                           y3="2.11753"
                           yFract="0.25089218"
                           z3="6.36235"
                           zFract="0.28633438"/>
                     <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="2.11691"
                           xFract="0.25081872"
                           y3="0.05449"
                           yFract="0.00645616"
                           z3="6.37467"
                           zFract="0.28688884"/>
                     <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="-0.04215"
                           xFract="-0.00499408"
                           y3="-0.02097"
                           yFract="-0.0024846"
                           z3="4.31131"
                           zFract="0.19402835"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0633"
                           xFract="-0.0075"
                           y3="0.02939"
                           yFract="0.00348223"
                           z3="8.57569"
                           zFract="0.38594464"/>
                     <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="2.15228"
                           xFract="0.25500948"
                           y3="2.15001"
                           yFract="0.25474052"
                           z3="4.16416"
                           zFract="0.18740594"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30676"
                           xFract="0.2733128"
                           y3="1.92927"
                           yFract="0.22858649"
                           z3="9.1937"
                           zFract="0.41375788"/>
                     <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="4.1644"
                           xFract="0.49341232"
                           y3="2.10429"
                           yFract="0.24932346"
                           z3="6.44797"
                           zFract="0.29018767"/>
                     <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="6.31987"
                           xFract="0.74879976"
                           y3="0.09158"
                           yFract="0.01085071"
                           z3="6.43448"
                           zFract="0.28958056"/>
                     <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="4.24726"
                           xFract="0.50322986"
                           y3="0.0085"
                           yFract="0.00100711"
                           z3="4.22497"
                           zFract="0.19014266"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32997"
                           xFract="0.51302962"
                           y3="-0.02454"
                           yFract="-0.00290758"
                           z3="8.56306"
                           zFract="0.38537624"/>
                     <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="6.28948"
                           xFract="0.74519905"
                           y3="2.07884"
                           yFract="0.24630806"
                           z3="4.38055"
                           zFract="0.19714446"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29474"
                           xFract="0.74582227"
                           y3="2.06447"
                           yFract="0.24460545"
                           z3="8.51663"
                           zFract="0.38328668"/>
                     <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="-0.12781"
                           xFract="-0.01514336"
                           y3="6.33386"
                           yFract="0.75045735"
                           z3="6.45323"
                           zFract="0.29042439"/>
                     <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="2.09212"
                           xFract="0.24788152"
                           y3="4.16445"
                           yFract="0.49341825"
                           z3="6.44115"
                           zFract="0.28988074"/>
                     <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="0.02789"
                           xFract="0.0033045"
                           y3="4.24021"
                           yFract="0.50239455"
                           z3="4.13801"
                           zFract="0.18622907"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.07925"
                           xFract="0.00938981"
                           y3="4.15516"
                           yFract="0.49231754"
                           z3="8.90631"
                           zFract="0.40082403"/>
                     <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="2.12879"
                           xFract="0.2522263"
                           y3="6.31466"
                           yFract="0.74818246"
                           z3="4.32197"
                           zFract="0.1945081"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11452"
                           xFract="0.25053555"
                           y3="6.4108"
                           yFract="0.75957346"
                           z3="8.60893"
                           zFract="0.38744059"/>
                     <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="4.36102"
                           xFract="0.51670853"
                           y3="6.32797"
                           yFract="0.74975948"
                           z3="6.54734"
                           zFract="0.29465977"/>
                     <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="6.35508"
                           xFract="0.75297156"
                           y3="4.12061"
                           yFract="0.48822393"
                           z3="6.48693"
                           zFract="0.29194104"/>
                     <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="4.19439"
                           xFract="0.49696564"
                           y3="4.21063"
                           yFract="0.49888981"
                           z3="4.3957"
                           zFract="0.19782628"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20523"
                           xFract="0.49825"
                           y3="4.20572"
                           yFract="0.49830806"
                           z3="8.58465"
                           zFract="0.38634788"/>
                     <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="6.29757"
                           xFract="0.74615758"
                           y3="6.35442"
                           yFract="0.75289336"
                           z3="4.04772"
                           zFract="0.18216562"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36244"
                           xFract="0.7538436"
                           y3="6.35221"
                           yFract="0.75263152"
                           z3="8.8075"
                           zFract="0.39637714"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17554"
                           xFract="0.2577654"
                           y3="2.03608"
                           yFract="0.24124171"
                           z3="10.16466"
                           zFract="0.45745545"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33947"
                           xFract="0.75112204"
                           y3="2.08575"
                           yFract="0.24712678"
                           z3="6.45306"
                           zFract="0.29041674"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3578"
                           xFract="0.75329384"
                           y3="-0.03349"
                           yFract="-0.00396801"
                           z3="8.53768"
                           zFract="0.38423402"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2097"
                           xFract="0.49877962"
                           y3="-0.01934"
                           yFract="-0.00229147"
                           z3="6.46595"
                           zFract="0.29099685"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02632"
                           xFract="0.00311848"
                           y3="0.02665"
                           yFract="0.00315758"
                           z3="6.47994"
                           zFract="0.29162646"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2793"
                           xFract="0.50702607"
                           y3="2.06178"
                           yFract="0.24428673"
                           z3="8.50834"
                           zFract="0.38291359"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26727"
                           xFract="0.50560071"
                           y3="6.3492"
                           yFract="0.75227488"
                           z3="8.57723"
                           zFract="0.38601395"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22746"
                           xFract="0.50088389"
                           y3="4.23553"
                           yFract="0.50184005"
                           z3="6.45712"
                           zFract="0.29059946"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11443"
                           xFract="0.25052488"
                           y3="4.25977"
                           yFract="0.50471209"
                           z3="4.24376"
                           zFract="0.1909883"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24357"
                           xFract="0.50279265"
                           y3="2.11774"
                           yFract="0.25091706"
                           z3="4.27212"
                           zFract="0.19226463"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43668"
                           xFract="0.76263981"
                           y3="4.20565"
                           yFract="0.49829976"
                           z3="8.56004"
                           zFract="0.38524032"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31297"
                           xFract="0.74798223"
                           y3="-0.00806"
                           yFract="-0.00095498"
                           z3="4.24699"
                           zFract="0.19113366"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12912"
                           xFract="0.2522654"
                           y3="-0.06176"
                           yFract="-0.00731754"
                           z3="8.77953"
                           zFract="0.39511836"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33667"
                           xFract="0.75079028"
                           y3="6.34067"
                           yFract="0.75126422"
                           z3="6.47311"
                           zFract="0.29131908"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13446"
                           xFract="0.2528981"
                           y3="6.3669"
                           yFract="0.75437204"
                           z3="6.44373"
                           zFract="0.28999685"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06425"
                           xFract="-0.00761256"
                           y3="2.08827"
                           yFract="0.24742536"
                           z3="8.76731"
                           zFract="0.39456841"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00003"
                           xFract="0.00000355"
                           y3="4.20747"
                           yFract="0.4985154"
                           z3="6.46106"
                           zFract="0.29077678"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21704"
                           xFract="0.49964929"
                           y3="6.32922"
                           yFract="0.74990758"
                           z3="4.34453"
                           zFract="0.1955234"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31811"
                           xFract="0.74859123"
                           y3="4.22809"
                           yFract="0.50095853"
                           z3="4.26876"
                           zFract="0.19211341"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11874"
                           xFract="0.25103555"
                           y3="-0.02381"
                           yFract="-0.00282109"
                           z3="4.27148"
                           zFract="0.19223582"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04172"
                           xFract="-0.00494313"
                           y3="2.14129"
                           yFract="0.25370735"
                           z3="4.27222"
                           zFract="0.19226913"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00397"
                           xFract="-0.00047038"
                           y3="6.33021"
                           yFract="0.75002488"
                           z3="8.64547"
                           zFract="0.38908506"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07379"
                           xFract="0.24570972"
                           y3="2.09444"
                           yFract="0.2481564"
                           z3="6.25264"
                           zFract="0.28139694"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01568"
                           xFract="-0.00185782"
                           y3="6.30357"
                           yFract="0.74686848"
                           z3="4.33481"
                           zFract="0.19508596"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08025"
                           xFract="0.24647512"
                           y3="4.3023"
                           yFract="0.50975118"
                           z3="8.55846"
                           zFract="0.38516922"/>
                     <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="0.00903"
                           xFract="0.00106991"
                           y3="2.12059"
                           yFract="0.25125474"
                           z3="6.36325"
                           zFract="0.28637489"/>
                     <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="2.11759"
                           xFract="0.25089929"
                           y3="0.05526"
                           yFract="0.00654739"
                           z3="6.37811"
                           zFract="0.28704365"/>
                     <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="-0.04238"
                           xFract="-0.00502133"
                           y3="-0.02287"
                           yFract="-0.00270972"
                           z3="4.31135"
                           zFract="0.19403015"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06293"
                           xFract="-0.00745616"
                           y3="0.02688"
                           yFract="0.00318483"
                           z3="8.57939"
                           zFract="0.38611116"/>
                     <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="2.15344"
                           xFract="0.25514692"
                           y3="2.14888"
                           yFract="0.25460664"
                           z3="4.16381"
                           zFract="0.18739019"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31358"
                           xFract="0.27412085"
                           y3="1.93206"
                           yFract="0.22891706"
                           z3="9.20011"
                           zFract="0.41404635"/>
                     <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="4.16405"
                           xFract="0.49337085"
                           y3="2.10547"
                           yFract="0.24946327"
                           z3="6.45025"
                           zFract="0.29029028"/>
                     <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="6.32019"
                           xFract="0.74883768"
                           y3="0.09184"
                           yFract="0.01088152"
                           z3="6.43654"
                           zFract="0.28967327"/>
                     <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="4.24792"
                           xFract="0.50330806"
                           y3="0.00155"
                           yFract="0.00018365"
                           z3="4.22437"
                           zFract="0.19011566"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32743"
                           xFract="0.51272867"
                           y3="-0.02593"
                           yFract="-0.00307227"
                           z3="8.56627"
                           zFract="0.3855207"/>
                     <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="6.28988"
                           xFract="0.74524645"
                           y3="2.0801"
                           yFract="0.24645735"
                           z3="4.38582"
                           zFract="0.19738164"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28779"
                           xFract="0.74499882"
                           y3="2.06458"
                           yFract="0.24461848"
                           z3="8.51913"
                           zFract="0.38339919"/>
                     <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="-0.12661"
                           xFract="-0.01500118"
                           y3="6.33306"
                           yFract="0.75036256"
                           z3="6.45675"
                           zFract="0.29058281"/>
                     <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="2.09026"
                           xFract="0.24766114"
                           y3="4.16217"
                           yFract="0.4931481"
                           z3="6.44408"
                           zFract="0.2900126"/>
                     <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="0.02773"
                           xFract="0.00328555"
                           y3="4.24157"
                           yFract="0.50255569"
                           z3="4.13556"
                           zFract="0.18611881"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08126"
                           xFract="0.00962796"
                           y3="4.15849"
                           yFract="0.49271209"
                           z3="8.90903"
                           zFract="0.40094644"/>
                     <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="2.13174"
                           xFract="0.25257583"
                           y3="6.31528"
                           yFract="0.74825592"
                           z3="4.32441"
                           zFract="0.19461791"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11616"
                           xFract="0.25072986"
                           y3="6.40805"
                           yFract="0.75924763"
                           z3="8.61432"
                           zFract="0.38768317"/>
                     <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="4.35986"
                           xFract="0.51657109"
                           y3="6.3256"
                           yFract="0.74947867"
                           z3="6.55133"
                           zFract="0.29483933"/>
                     <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="6.35615"
                           xFract="0.75309834"
                           y3="4.12005"
                           yFract="0.48815758"
                           z3="6.49013"
                           zFract="0.29208506"/>
                     <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="4.1937"
                           xFract="0.49688389"
                           y3="4.21636"
                           yFract="0.49956872"
                           z3="4.39763"
                           zFract="0.19791314"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20881"
                           xFract="0.49867417"
                           y3="4.20604"
                           yFract="0.49834597"
                           z3="8.58875"
                           zFract="0.3865324"/>
                     <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="6.29482"
                           xFract="0.74583175"
                           y3="6.35355"
                           yFract="0.75279028"
                           z3="4.04385"
                           zFract="0.18199145"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36144"
                           xFract="0.75372512"
                           y3="6.35117"
                           yFract="0.75250829"
                           z3="8.81828"
                           zFract="0.39686229"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17501"
                           xFract="0.25770261"
                           y3="2.0399"
                           yFract="0.24169431"
                           z3="10.16034"
                           zFract="0.45726103"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33944"
                           xFract="0.75111848"
                           y3="2.08785"
                           yFract="0.24737559"
                           z3="6.4500"
                           zFract="0.29027903"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35772"
                           xFract="0.75328436"
                           y3="-0.03367"
                           yFract="-0.00398934"
                           z3="8.53627"
                           zFract="0.38417057"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2096"
                           xFract="0.49876777"
                           y3="-0.01855"
                           yFract="-0.00219787"
                           z3="6.46348"
                           zFract="0.29088569"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02529"
                           xFract="0.00299645"
                           y3="0.02516"
                           yFract="0.00298104"
                           z3="6.47743"
                           zFract="0.2915135"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27892"
                           xFract="0.50698104"
                           y3="2.06235"
                           yFract="0.24435427"
                           z3="8.50497"
                           zFract="0.38276193"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26617"
                           xFract="0.50547038"
                           y3="6.3504"
                           yFract="0.75241706"
                           z3="8.57341"
                           zFract="0.38584203"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22769"
                           xFract="0.50091114"
                           y3="4.23645"
                           yFract="0.50194905"
                           z3="6.45496"
                           zFract="0.29050225"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11546"
                           xFract="0.25064692"
                           y3="4.26007"
                           yFract="0.50474763"
                           z3="4.24384"
                           zFract="0.1909919"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24288"
                           xFract="0.5027109"
                           y3="2.11769"
                           yFract="0.25091114"
                           z3="4.27117"
                           zFract="0.19222187"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4346"
                           xFract="0.76239336"
                           y3="4.20793"
                           yFract="0.49856991"
                           z3="8.55603"
                           zFract="0.38505986"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31209"
                           xFract="0.74787796"
                           y3="-0.00864"
                           yFract="-0.0010237"
                           z3="4.24554"
                           zFract="0.19106841"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12839"
                           xFract="0.25217891"
                           y3="-0.06198"
                           yFract="-0.0073436"
                           z3="8.77637"
                           zFract="0.39497615"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33397"
                           xFract="0.75047038"
                           y3="6.34079"
                           yFract="0.75127844"
                           z3="6.47116"
                           zFract="0.29123132"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13425"
                           xFract="0.25287322"
                           y3="6.36851"
                           yFract="0.7545628"
                           z3="6.44106"
                           zFract="0.28987669"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06593"
                           xFract="-0.00781161"
                           y3="2.0896"
                           yFract="0.24758294"
                           z3="8.76194"
                           zFract="0.39432673"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00024"
                           xFract="-0.00002844"
                           y3="4.20802"
                           yFract="0.49858057"
                           z3="6.45809"
                           zFract="0.29064311"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2161"
                           xFract="0.49953791"
                           y3="6.33047"
                           yFract="0.75005569"
                           z3="4.34379"
                           zFract="0.1954901"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31787"
                           xFract="0.7485628"
                           y3="4.22829"
                           yFract="0.50098223"
                           z3="4.26757"
                           zFract="0.19205986"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1198"
                           xFract="0.25116114"
                           y3="-0.02414"
                           yFract="-0.00286019"
                           z3="4.2702"
                           zFract="0.19217822"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04181"
                           xFract="-0.00495379"
                           y3="2.14041"
                           yFract="0.25360308"
                           z3="4.27136"
                           zFract="0.19223042"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00379"
                           xFract="-0.00044905"
                           y3="6.33121"
                           yFract="0.75014336"
                           z3="8.64096"
                           zFract="0.38888209"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07341"
                           xFract="0.24566469"
                           y3="2.09503"
                           yFract="0.2482263"
                           z3="6.25154"
                           zFract="0.28134743"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01401"
                           xFract="-0.00165995"
                           y3="6.30454"
                           yFract="0.74698341"
                           z3="4.33154"
                           zFract="0.19493879"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07898"
                           xFract="0.24632464"
                           y3="4.30308"
                           yFract="0.5098436"
                           z3="8.5549"
                           zFract="0.385009"/>
                     <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="0.00872"
                           xFract="0.00103318"
                           y3="2.11869"
                           yFract="0.25102962"
                           z3="6.36269"
                           zFract="0.28634968"/>
                     <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="2.11716"
                           xFract="0.25084834"
                           y3="0.05478"
                           yFract="0.00649052"
                           z3="6.37597"
                           zFract="0.28694734"/>
                     <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="-0.04224"
                           xFract="-0.00500474"
                           y3="-0.02169"
                           yFract="-0.00256991"
                           z3="4.31132"
                           zFract="0.1940288"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06316"
                           xFract="-0.00748341"
                           y3="0.02844"
                           yFract="0.00336967"
                           z3="8.57709"
                           zFract="0.38600765"/>
                     <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="2.15272"
                           xFract="0.25506161"
                           y3="2.14958"
                           yFract="0.25468957"
                           z3="4.16403"
                           zFract="0.18740009"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30934"
                           xFract="0.27361848"
                           y3="1.93032"
                           yFract="0.2287109"
                           z3="9.19613"
                           zFract="0.41386724"/>
                     <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="4.16427"
                           xFract="0.49339692"
                           y3="2.10473"
                           yFract="0.24937559"
                           z3="6.44883"
                           zFract="0.29022637"/>
                     <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="6.31999"
                           xFract="0.74881398"
                           y3="0.09168"
                           yFract="0.01086256"
                           z3="6.43526"
                           zFract="0.28961566"/>
                     <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="4.24751"
                           xFract="0.50325948"
                           y3="0.00586"
                           yFract="0.00069431"
                           z3="4.22475"
                           zFract="0.19013276"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32901"
                           xFract="0.51291588"
                           y3="-0.02507"
                           yFract="-0.00297038"
                           z3="8.56427"
                           zFract="0.38543069"/>
                     <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="6.28963"
                           xFract="0.74521682"
                           y3="2.07932"
                           yFract="0.24636493"
                           z3="4.38255"
                           zFract="0.19723447"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29211"
                           xFract="0.74551066"
                           y3="2.06451"
                           yFract="0.24461019"
                           z3="8.51757"
                           zFract="0.38332898"/>
                     <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="-0.12735"
                           xFract="-0.01508886"
                           y3="6.33356"
                           yFract="0.7504218"
                           z3="6.45456"
                           zFract="0.29048425"/>
                     <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="2.09142"
                           xFract="0.24779858"
                           y3="4.16359"
                           yFract="0.49331635"
                           z3="6.44226"
                           zFract="0.28993069"/>
                     <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="0.02783"
                           xFract="0.00329739"
                           y3="4.24073"
                           yFract="0.50245616"
                           z3="4.13708"
                           zFract="0.18618722"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08001"
                           xFract="0.00947986"
                           y3="4.15642"
                           yFract="0.49246682"
                           z3="8.90734"
                           zFract="0.40087039"/>
                     <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="2.12991"
                           xFract="0.252359"
                           y3="6.3149"
                           yFract="0.7482109"
                           z3="4.32289"
                           zFract="0.1945495"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11514"
                           xFract="0.250609"
                           y3="6.40976"
                           yFract="0.75945024"
                           z3="8.61097"
                           zFract="0.3875324"/>
                     <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="4.36058"
                           xFract="0.5166564"
                           y3="6.32707"
                           yFract="0.74965284"
                           z3="6.54885"
                           zFract="0.29472772"/>
                     <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="6.35549"
                           xFract="0.75302014"
                           y3="4.1204"
                           yFract="0.48819905"
                           z3="6.48814"
                           zFract="0.2919955"/>
                     <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="4.19413"
                           xFract="0.49693483"
                           y3="4.2128"
                           yFract="0.49914692"
                           z3="4.39643"
                           zFract="0.19785914"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20658"
                           xFract="0.49840995"
                           y3="4.20584"
                           yFract="0.49832227"
                           z3="8.5862"
                           zFract="0.38641764"/>
                     <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="6.29653"
                           xFract="0.74603436"
                           y3="6.35409"
                           yFract="0.75285427"
                           z3="4.04626"
                           zFract="0.18209991"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36206"
                           xFract="0.75379858"
                           y3="6.35182"
                           yFract="0.75258531"
                           z3="8.81158"
                           zFract="0.39656076"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17585"
                           xFract="0.25780213"
                           y3="2.03811"
                           yFract="0.24148223"
                           z3="10.15891"
                           zFract="0.45719667"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33959"
                           xFract="0.75113626"
                           y3="2.08711"
                           yFract="0.24728791"
                           z3="6.45122"
                           zFract="0.29033393"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35727"
                           xFract="0.75323104"
                           y3="-0.0344"
                           yFract="-0.00407583"
                           z3="8.53704"
                           zFract="0.38420522"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20956"
                           xFract="0.49876303"
                           y3="-0.01917"
                           yFract="-0.00227133"
                           z3="6.46457"
                           zFract="0.29093474"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02549"
                           xFract="0.00302014"
                           y3="0.02555"
                           yFract="0.00302725"
                           z3="6.47841"
                           zFract="0.29155761"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27912"
                           xFract="0.50700474"
                           y3="2.06215"
                           yFract="0.24433057"
                           z3="8.50587"
                           zFract="0.38280243"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26702"
                           xFract="0.50557109"
                           y3="6.34968"
                           yFract="0.75233175"
                           z3="8.57477"
                           zFract="0.38590324"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22773"
                           xFract="0.50091588"
                           y3="4.23647"
                           yFract="0.50195142"
                           z3="6.4558"
                           zFract="0.29054005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11552"
                           xFract="0.25065403"
                           y3="4.25965"
                           yFract="0.50469787"
                           z3="4.24401"
                           zFract="0.19099955"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24264"
                           xFract="0.50268246"
                           y3="2.11765"
                           yFract="0.2509064"
                           z3="4.27143"
                           zFract="0.19223357"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43478"
                           xFract="0.76241469"
                           y3="4.20757"
                           yFract="0.49852725"
                           z3="8.55745"
                           zFract="0.38512376"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31253"
                           xFract="0.74793009"
                           y3="-0.00876"
                           yFract="-0.00103791"
                           z3="4.24584"
                           zFract="0.19108191"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12885"
                           xFract="0.25223341"
                           y3="-0.06178"
                           yFract="-0.00731991"
                           z3="8.7776"
                           zFract="0.3950315"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3344"
                           xFract="0.75052133"
                           y3="6.34076"
                           yFract="0.75127488"
                           z3="6.47225"
                           zFract="0.29128038"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13452"
                           xFract="0.25290521"
                           y3="6.36807"
                           yFract="0.75451066"
                           z3="6.44241"
                           zFract="0.28993744"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0661"
                           xFract="-0.00783175"
                           y3="2.08898"
                           yFract="0.24750948"
                           z3="8.7637"
                           zFract="0.39440594"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="-0.00004"
                           xFract="-0.00000474"
                           y3="4.20767"
                           yFract="0.4985391"
                           z3="6.45935"
                           zFract="0.29069982"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21666"
                           xFract="0.49960427"
                           y3="6.33018"
                           yFract="0.75002133"
                           z3="4.34416"
                           zFract="0.19550675"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31795"
                           xFract="0.74857227"
                           y3="4.22822"
                           yFract="0.50097393"
                           z3="4.26769"
                           zFract="0.19206526"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11945"
                           xFract="0.25111967"
                           y3="-0.02416"
                           yFract="-0.00286256"
                           z3="4.27072"
                           zFract="0.19220162"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04184"
                           xFract="-0.00495735"
                           y3="2.14053"
                           yFract="0.2536173"
                           z3="4.27159"
                           zFract="0.19224077"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00437"
                           xFract="-0.00051777"
                           y3="6.33088"
                           yFract="0.75010427"
                           z3="8.64287"
                           zFract="0.38896805"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07356"
                           xFract="0.24568246"
                           y3="2.09502"
                           yFract="0.24822512"
                           z3="6.25147"
                           zFract="0.28134428"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01481"
                           xFract="-0.00175474"
                           y3="6.30465"
                           yFract="0.74699645"
                           z3="4.33257"
                           zFract="0.19498515"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.07996"
                           xFract="0.24644076"
                           y3="4.30294"
                           yFract="0.50982701"
                           z3="8.5564"
                           zFract="0.38507651"/>
                     <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="0.00916"
                           xFract="0.00108531"
                           y3="2.11901"
                           yFract="0.25106754"
                           z3="6.3630"
                           zFract="0.28636364"/>
                     <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="2.1174"
                           xFract="0.25087678"
                           y3="0.05481"
                           yFract="0.00649408"
                           z3="6.37666"
                           zFract="0.2869784"/>
                     <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="-0.04199"
                           xFract="-0.00497512"
                           y3="-0.02205"
                           yFract="-0.00261256"
                           z3="4.31185"
                           zFract="0.19405266"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06303"
                           xFract="-0.00746801"
                           y3="0.02879"
                           yFract="0.00341114"
                           z3="8.57827"
                           zFract="0.38606076"/>
                     <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="2.15308"
                           xFract="0.25510427"
                           y3="2.14943"
                           yFract="0.2546718"
                           z3="4.1645"
                           zFract="0.18742124"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3098"
                           xFract="0.27367299"
                           y3="1.93095"
                           yFract="0.22878555"
                           z3="9.20144"
                           zFract="0.41410621"/>
                     <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="4.16393"
                           xFract="0.49335664"
                           y3="2.10471"
                           yFract="0.24937322"
                           z3="6.44986"
                           zFract="0.29027273"/>
                     <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="6.31998"
                           xFract="0.7488128"
                           y3="0.09162"
                           yFract="0.01085545"
                           z3="6.43609"
                           zFract="0.28965302"/>
                     <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="4.24755"
                           xFract="0.50326422"
                           y3="0.00489"
                           yFract="0.00057938"
                           z3="4.22474"
                           zFract="0.19013231"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32862"
                           xFract="0.51286967"
                           y3="-0.02493"
                           yFract="-0.00295379"
                           z3="8.56506"
                           zFract="0.38546625"/>
                     <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="6.28954"
                           xFract="0.74520616"
                           y3="2.07961"
                           yFract="0.24639929"
                           z3="4.38477"
                           zFract="0.19733438"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29245"
                           xFract="0.74555095"
                           y3="2.06428"
                           yFract="0.24458294"
                           z3="8.51904"
                           zFract="0.38339514"/>
                     <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="-0.12704"
                           xFract="-0.01505213"
                           y3="6.33308"
                           yFract="0.75036493"
                           z3="6.45543"
                           zFract="0.2905234"/>
                     <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="2.0906"
                           xFract="0.24770142"
                           y3="4.16312"
                           yFract="0.49326066"
                           z3="6.44318"
                           zFract="0.2899721"/>
                     <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="0.0279"
                           xFract="0.00330569"
                           y3="4.24106"
                           yFract="0.50249526"
                           z3="4.13724"
                           zFract="0.18619442"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08061"
                           xFract="0.00955095"
                           y3="4.15626"
                           yFract="0.49244787"
                           z3="8.90826"
                           zFract="0.40091179"/>
                     <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="2.13045"
                           xFract="0.25242299"
                           y3="6.31505"
                           yFract="0.74822867"
                           z3="4.32395"
                           zFract="0.19459721"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1153"
                           xFract="0.25062796"
                           y3="6.40897"
                           yFract="0.75935664"
                           z3="8.61259"
                           zFract="0.38760531"/>
                     <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="4.36063"
                           xFract="0.51666232"
                           y3="6.32684"
                           yFract="0.74962559"
                           z3="6.54995"
                           zFract="0.29477723"/>
                     <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="6.35621"
                           xFract="0.75310545"
                           y3="4.12042"
                           yFract="0.48820142"
                           z3="6.48905"
                           zFract="0.29203645"/>
                     <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="4.19411"
                           xFract="0.49693246"
                           y3="4.21335"
                           yFract="0.49921209"
                           z3="4.39725"
                           zFract="0.19789604"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20686"
                           xFract="0.49844313"
                           y3="4.20556"
                           yFract="0.4982891"
                           z3="8.58705"
                           zFract="0.3864559"/>
                     <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="6.29576"
                           xFract="0.74594313"
                           y3="6.35382"
                           yFract="0.75282227"
                           z3="4.04698"
                           zFract="0.18213231"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36244"
                           xFract="0.7538436"
                           y3="6.35185"
                           yFract="0.75258886"
                           z3="8.81451"
                           zFract="0.39669262"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17602"
                           xFract="0.25782227"
                           y3="2.03774"
                           yFract="0.24143839"
                           z3="10.15862"
                           zFract="0.45718362"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33962"
                           xFract="0.75113981"
                           y3="2.08695"
                           yFract="0.24726896"
                           z3="6.45147"
                           zFract="0.29034518"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35717"
                           xFract="0.75321919"
                           y3="-0.03455"
                           yFract="-0.0040936"
                           z3="8.5372"
                           zFract="0.38421242"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20956"
                           xFract="0.49876303"
                           y3="-0.0193"
                           yFract="-0.00228673"
                           z3="6.4648"
                           zFract="0.29094509"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02553"
                           xFract="0.00302488"
                           y3="0.02563"
                           yFract="0.00303673"
                           z3="6.47861"
                           zFract="0.29156661"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27916"
                           xFract="0.50700948"
                           y3="2.06211"
                           yFract="0.24432583"
                           z3="8.50605"
                           zFract="0.38281053"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2672"
                           xFract="0.50559242"
                           y3="6.34953"
                           yFract="0.75231398"
                           z3="8.57505"
                           zFract="0.38591584"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22774"
                           xFract="0.50091706"
                           y3="4.23648"
                           yFract="0.50195261"
                           z3="6.45597"
                           zFract="0.2905477"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11553"
                           xFract="0.25065521"
                           y3="4.25956"
                           yFract="0.5046872"
                           z3="4.24404"
                           zFract="0.1910009"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24259"
                           xFract="0.50267654"
                           y3="2.11764"
                           yFract="0.25090521"
                           z3="4.27149"
                           zFract="0.19223627"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43481"
                           xFract="0.76241825"
                           y3="4.2075"
                           yFract="0.49851896"
                           z3="8.55774"
                           zFract="0.38513681"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31262"
                           xFract="0.74794076"
                           y3="-0.00878"
                           yFract="-0.00104028"
                           z3="4.2459"
                           zFract="0.19108461"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.12894"
                           xFract="0.25224408"
                           y3="-0.06173"
                           yFract="-0.00731398"
                           z3="8.77786"
                           zFract="0.3950432"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33449"
                           xFract="0.75053199"
                           y3="6.34075"
                           yFract="0.7512737"
                           z3="6.47248"
                           zFract="0.29129073"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13457"
                           xFract="0.25291114"
                           y3="6.36798"
                           yFract="0.7545"
                           z3="6.44269"
                           zFract="0.28995005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06613"
                           xFract="-0.00783531"
                           y3="2.08885"
                           yFract="0.24749408"
                           z3="8.76406"
                           zFract="0.39442214"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.20759"
                           yFract="0.49852962"
                           z3="6.45961"
                           zFract="0.29071152"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21677"
                           xFract="0.4996173"
                           y3="6.33012"
                           yFract="0.75001422"
                           z3="4.34424"
                           zFract="0.19551035"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31796"
                           xFract="0.74857346"
                           y3="4.2282"
                           yFract="0.50097156"
                           z3="4.26772"
                           zFract="0.19206661"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11938"
                           xFract="0.25111137"
                           y3="-0.02416"
                           yFract="-0.00286256"
                           z3="4.27083"
                           zFract="0.19220657"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04184"
                           xFract="-0.00495735"
                           y3="2.14055"
                           yFract="0.25361967"
                           z3="4.27164"
                           zFract="0.19224302"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00449"
                           xFract="-0.00053199"
                           y3="6.33082"
                           yFract="0.75009716"
                           z3="8.64326"
                           zFract="0.3889856"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07359"
                           xFract="0.24568602"
                           y3="2.09501"
                           yFract="0.24822393"
                           z3="6.25146"
                           zFract="0.28134383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01497"
                           xFract="-0.0017737"
                           y3="6.30467"
                           yFract="0.74699882"
                           z3="4.33278"
                           zFract="0.1949946"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08016"
                           xFract="0.24646445"
                           y3="4.3029"
                           yFract="0.50982227"
                           z3="8.55671"
                           zFract="0.38509046"/>
                     <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="0.00926"
                           xFract="0.00109716"
                           y3="2.11908"
                           yFract="0.25107583"
                           z3="6.36306"
                           zFract="0.28636634"/>
                     <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="2.11745"
                           xFract="0.2508827"
                           y3="0.05481"
                           yFract="0.00649408"
                           z3="6.3768"
                           zFract="0.2869847"/>
                     <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="-0.04194"
                           xFract="-0.00496919"
                           y3="-0.02213"
                           yFract="-0.00262204"
                           z3="4.31196"
                           zFract="0.19405761"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.0630"
                           xFract="-0.00746445"
                           y3="0.02887"
                           yFract="0.00342062"
                           z3="8.57851"
                           zFract="0.38607156"/>
                     <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="2.15315"
                           xFract="0.25511256"
                           y3="2.1494"
                           yFract="0.25466825"
                           z3="4.1646"
                           zFract="0.18742574"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3099"
                           xFract="0.27368483"
                           y3="1.93108"
                           yFract="0.22880095"
                           z3="9.20254"
                           zFract="0.41415572"/>
                     <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="4.16386"
                           xFract="0.49334834"
                           y3="2.10471"
                           yFract="0.24937322"
                           z3="6.45007"
                           zFract="0.29028218"/>
                     <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="6.31998"
                           xFract="0.7488128"
                           y3="0.09161"
                           yFract="0.01085427"
                           z3="6.43626"
                           zFract="0.28966067"/>
                     <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="4.24755"
                           xFract="0.50326422"
                           y3="0.00469"
                           yFract="0.00055569"
                           z3="4.22474"
                           zFract="0.19013231"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32854"
                           xFract="0.51286019"
                           y3="-0.0249"
                           yFract="-0.00295024"
                           z3="8.56522"
                           zFract="0.38547345"/>
                     <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="6.28952"
                           xFract="0.74520379"
                           y3="2.07967"
                           yFract="0.2464064"
                           z3="4.38523"
                           zFract="0.19735509"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29252"
                           xFract="0.74555924"
                           y3="2.06424"
                           yFract="0.2445782"
                           z3="8.51935"
                           zFract="0.38340909"/>
                     <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="-0.12698"
                           xFract="-0.01504502"
                           y3="6.33299"
                           yFract="0.75035427"
                           z3="6.45561"
                           zFract="0.2905315"/>
                     <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="2.09043"
                           xFract="0.24768128"
                           y3="4.16302"
                           yFract="0.49324882"
                           z3="6.44337"
                           zFract="0.28998065"/>
                     <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="0.02791"
                           xFract="0.00330687"
                           y3="4.24113"
                           yFract="0.50250355"
                           z3="4.13727"
                           zFract="0.18619577"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08074"
                           xFract="0.00956635"
                           y3="4.15622"
                           yFract="0.49244313"
                           z3="8.90845"
                           zFract="0.40092034"/>
                     <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="2.13056"
                           xFract="0.25243602"
                           y3="6.31508"
                           yFract="0.74823223"
                           z3="4.32417"
                           zFract="0.19460711"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11534"
                           xFract="0.2506327"
                           y3="6.40881"
                           yFract="0.75933768"
                           z3="8.61292"
                           zFract="0.38762016"/>
                     <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="4.36065"
                           xFract="0.51666469"
                           y3="6.3268"
                           yFract="0.74962085"
                           z3="6.55017"
                           zFract="0.29478713"/>
                     <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="6.35636"
                           xFract="0.75312322"
                           y3="4.12042"
                           yFract="0.48820142"
                           z3="6.48924"
                           zFract="0.292045"/>
                     <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="4.19411"
                           xFract="0.49693246"
                           y3="4.21347"
                           yFract="0.4992263"
                           z3="4.39742"
                           zFract="0.19790369"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20692"
                           xFract="0.49845024"
                           y3="4.2055"
                           yFract="0.49828199"
                           z3="8.58723"
                           zFract="0.386464"/>
                     <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="6.2956"
                           xFract="0.74592417"
                           y3="6.35376"
                           yFract="0.75281517"
                           z3="4.04713"
                           zFract="0.18213906"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36252"
                           xFract="0.75385308"
                           y3="6.35185"
                           yFract="0.75258886"
                           z3="8.81511"
                           zFract="0.39671962"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17651"
                           xFract="0.25788033"
                           y3="2.03652"
                           yFract="0.24129384"
                           z3="10.16072"
                           zFract="0.45727813"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.33988"
                           xFract="0.75117062"
                           y3="2.08649"
                           yFract="0.24721445"
                           z3="6.45263"
                           zFract="0.29039739"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35641"
                           xFract="0.75312915"
                           y3="-0.03582"
                           yFract="-0.00424408"
                           z3="8.53818"
                           zFract="0.38425653"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20943"
                           xFract="0.49874763"
                           y3="-0.02013"
                           yFract="-0.00238507"
                           z3="6.46583"
                           zFract="0.29099145"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.0256"
                           xFract="0.00303318"
                           y3="0.02574"
                           yFract="0.00304976"
                           z3="6.47951"
                           zFract="0.29160711"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27923"
                           xFract="0.50701777"
                           y3="2.06198"
                           yFract="0.24431043"
                           z3="8.5066"
                           zFract="0.38283528"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.26825"
                           xFract="0.50571682"
                           y3="6.34871"
                           yFract="0.75221682"
                           z3="8.57619"
                           zFract="0.38596715"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22792"
                           xFract="0.50093839"
                           y3="4.23681"
                           yFract="0.50199171"
                           z3="6.45668"
                           zFract="0.29057966"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11597"
                           xFract="0.25070735"
                           y3="4.25909"
                           yFract="0.50463152"
                           z3="4.2444"
                           zFract="0.1910171"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24206"
                           xFract="0.50261374"
                           y3="2.11751"
                           yFract="0.25088981"
                           z3="4.27168"
                           zFract="0.19224482"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43443"
                           xFract="0.76237322"
                           y3="4.20765"
                           yFract="0.49853673"
                           z3="8.55889"
                           zFract="0.38518857"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31299"
                           xFract="0.7479846"
                           y3="-0.00917"
                           yFract="-0.00108649"
                           z3="4.24596"
                           zFract="0.19108731"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1295"
                           xFract="0.25231043"
                           y3="-0.06148"
                           yFract="-0.00728436"
                           z3="8.77901"
                           zFract="0.39509496"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33431"
                           xFract="0.75051066"
                           y3="6.34069"
                           yFract="0.75126659"
                           z3="6.47376"
                           zFract="0.29134833"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13496"
                           xFract="0.25295735"
                           y3="6.36773"
                           yFract="0.75447038"
                           z3="6.44419"
                           zFract="0.29001755"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06704"
                           xFract="-0.00794313"
                           y3="2.08821"
                           yFract="0.24741825"
                           z3="8.76542"
                           zFract="0.39448335"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00027"
                           xFract="0.00003199"
                           y3="4.20717"
                           yFract="0.49847986"
                           z3="6.46085"
                           zFract="0.29076733"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21734"
                           xFract="0.49968483"
                           y3="6.33005"
                           yFract="0.75000592"
                           z3="4.34467"
                           zFract="0.1955297"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31802"
                           xFract="0.74858057"
                           y3="4.22811"
                           yFract="0.5009609"
                           z3="4.26758"
                           zFract="0.19206031"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11919"
                           xFract="0.25108886"
                           y3="-0.02439"
                           yFract="-0.00288981"
                           z3="4.27131"
                           zFract="0.19222817"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04196"
                           xFract="-0.00497156"
                           y3="2.14049"
                           yFract="0.25361256"
                           z3="4.27178"
                           zFract="0.19224932"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00531"
                           xFract="-0.00062915"
                           y3="6.33059"
                           yFract="0.75006991"
                           z3="8.64508"
                           zFract="0.38906751"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07376"
                           xFract="0.24570616"
                           y3="2.09515"
                           yFract="0.24824052"
                           z3="6.25109"
                           zFract="0.28132718"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01571"
                           xFract="-0.00186137"
                           y3="6.30511"
                           yFract="0.74705095"
                           z3="4.33351"
                           zFract="0.19502745"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08139"
                           xFract="0.24661019"
                           y3="4.30286"
                           yFract="0.50981754"
                           z3="8.55822"
                           zFract="0.38515842"/>
                     <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="0.00991"
                           xFract="0.00117417"
                           y3="2.11893"
                           yFract="0.25105806"
                           z3="6.36347"
                           zFract="0.28638479"/>
                     <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="2.11771"
                           xFract="0.25091351"
                           y3="0.0547"
                           yFract="0.00648104"
                           z3="6.37736"
                           zFract="0.2870099"/>
                     <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="-0.04151"
                           xFract="-0.00491825"
                           y3="-0.02234"
                           yFract="-0.00264692"
                           z3="4.31289"
                           zFract="0.19409946"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06283"
                           xFract="-0.00744431"
                           y3="0.03009"
                           yFract="0.00356517"
                           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="2.15352"
                           xFract="0.2551564"
                           y3="2.14933"
                           yFract="0.25465995"
                           z3="4.16541"
                           zFract="0.1874622"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3101"
                           xFract="0.27370853"
                           y3="1.93086"
                           yFract="0.22877488"
                           z3="9.20443"
                           zFract="0.41424077"/>
                     <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="4.16337"
                           xFract="0.49329028"
                           y3="2.10441"
                           yFract="0.24933768"
                           z3="6.45141"
                           zFract="0.29034248"/>
                     <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="6.31995"
                           xFract="0.74880924"
                           y3="0.09136"
                           yFract="0.01082464"
                           z3="6.43739"
                           zFract="0.28971152"/>
                     <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="4.24751"
                           xFract="0.50325948"
                           y3="0.00462"
                           yFract="0.00054739"
                           z3="4.22488"
                           zFract="0.19013861"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32837"
                           xFract="0.51284005"
                           y3="-0.02447"
                           yFract="-0.00289929"
                           z3="8.56597"
                           zFract="0.3855072"/>
                     <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="6.28929"
                           xFract="0.74517654"
                           y3="2.07985"
                           yFract="0.24642773"
                           z3="4.38798"
                           zFract="0.19747885"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2948"
                           xFract="0.74582938"
                           y3="2.06378"
                           yFract="0.2445237"
                           z3="8.52138"
                           zFract="0.38350045"/>
                     <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="-0.1267"
                           xFract="-0.01501185"
                           y3="6.33243"
                           yFract="0.75028791"
                           z3="6.45651"
                           zFract="0.29057201"/>
                     <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="2.08948"
                           xFract="0.24756872"
                           y3="4.16266"
                           yFract="0.49320616"
                           z3="6.4444"
                           zFract="0.290027"/>
                     <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="0.02809"
                           xFract="0.0033282"
                           y3="4.24141"
                           yFract="0.50253673"
                           z3="4.13804"
                           zFract="0.18623042"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08129"
                           xFract="0.00963152"
                           y3="4.15506"
                           yFract="0.49230569"
                           z3="8.90951"
                           zFract="0.40096805"/>
                     <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="2.13085"
                           xFract="0.25247038"
                           y3="6.31515"
                           yFract="0.74824052"
                           z3="4.3255"
                           zFract="0.19466697"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11525"
                           xFract="0.25062204"
                           y3="6.40812"
                           yFract="0.75925592"
                           z3="8.61464"
                           zFract="0.38769757"/>
                     <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="4.36102"
                           xFract="0.51670853"
                           y3="6.32689"
                           yFract="0.74963152"
                           z3="6.55142"
                           zFract="0.29484338"/>
                     <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="6.35735"
                           xFract="0.75324052"
                           y3="4.12056"
                           yFract="0.48821801"
                           z3="6.49028"
                           zFract="0.29209181"/>
                     <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="4.19421"
                           xFract="0.49694431"
                           y3="4.21307"
                           yFract="0.49917891"
                           z3="4.39849"
                           zFract="0.19795185"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20675"
                           xFract="0.49843009"
                           y3="4.20493"
                           yFract="0.49821445"
                           z3="8.58789"
                           zFract="0.3864937"/>
                     <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="6.29493"
                           xFract="0.74584479"
                           y3="6.35349"
                           yFract="0.75278318"
                           z3="4.04911"
                           zFract="0.18222817"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36333"
                           xFract="0.75394905"
                           y3="6.35207"
                           yFract="0.75261493"
                           z3="8.81809"
                           zFract="0.39685374"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17797"
                           xFract="0.25805332"
                           y3="2.03286"
                           yFract="0.24086019"
                           z3="10.16702"
                           zFract="0.45756166"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34066"
                           xFract="0.75126303"
                           y3="2.08511"
                           yFract="0.24705095"
                           z3="6.4561"
                           zFract="0.29055356"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35412"
                           xFract="0.75285782"
                           y3="-0.03962"
                           yFract="-0.00469431"
                           z3="8.54112"
                           zFract="0.38438884"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20906"
                           xFract="0.49870379"
                           y3="-0.02263"
                           yFract="-0.00268128"
                           z3="6.46895"
                           zFract="0.29113186"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02578"
                           xFract="0.0030545"
                           y3="0.02609"
                           yFract="0.00309123"
                           z3="6.4822"
                           zFract="0.29172817"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27941"
                           xFract="0.5070391"
                           y3="2.06156"
                           yFract="0.24426066"
                           z3="8.50823"
                           zFract="0.38290864"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27141"
                           xFract="0.50609123"
                           y3="6.34628"
                           yFract="0.75192891"
                           z3="8.57961"
                           zFract="0.38612106"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22845"
                           xFract="0.50100118"
                           y3="4.23782"
                           yFract="0.50211137"
                           z3="6.45884"
                           zFract="0.29067687"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11729"
                           xFract="0.25086374"
                           y3="4.25768"
                           yFract="0.50446445"
                           z3="4.24547"
                           zFract="0.19106526"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24045"
                           xFract="0.50242299"
                           y3="2.11713"
                           yFract="0.25084479"
                           z3="4.27227"
                           zFract="0.19227138"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43326"
                           xFract="0.7622346"
                           y3="4.2081"
                           yFract="0.49859005"
                           z3="8.56231"
                           zFract="0.38534248"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31407"
                           xFract="0.74811256"
                           y3="-0.01031"
                           yFract="-0.00122156"
                           z3="4.24614"
                           zFract="0.19109541"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1312"
                           xFract="0.25251185"
                           y3="-0.06072"
                           yFract="-0.00719431"
                           z3="8.78246"
                           zFract="0.39525023"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33377"
                           xFract="0.75044668"
                           y3="6.34051"
                           yFract="0.75124526"
                           z3="6.47759"
                           zFract="0.2915207"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13613"
                           xFract="0.25309597"
                           y3="6.3670"
                           yFract="0.75438389"
                           z3="6.44871"
                           zFract="0.29022097"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06976"
                           xFract="-0.0082654"
                           y3="2.08629"
                           yFract="0.24719076"
                           z3="8.76951"
                           zFract="0.39466742"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00105"
                           xFract="0.00012441"
                           y3="4.20591"
                           yFract="0.49833057"
                           z3="6.46458"
                           zFract="0.29093519"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21904"
                           xFract="0.49988626"
                           y3="6.32982"
                           yFract="0.74997867"
                           z3="4.34596"
                           zFract="0.19558776"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31818"
                           xFract="0.74859953"
                           y3="4.22783"
                           yFract="0.50092773"
                           z3="4.26716"
                           zFract="0.1920414"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11862"
                           xFract="0.25102133"
                           y3="-0.02508"
                           yFract="-0.00297156"
                           z3="4.27276"
                           zFract="0.19229343"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04232"
                           xFract="-0.00501422"
                           y3="2.14032"
                           yFract="0.25359242"
                           z3="4.27222"
                           zFract="0.19226913"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00778"
                           xFract="-0.0009218"
                           y3="6.32993"
                           yFract="0.74999171"
                           z3="8.65055"
                           zFract="0.38931368"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07425"
                           xFract="0.24576422"
                           y3="2.09558"
                           yFract="0.24829147"
                           z3="6.24998"
                           zFract="0.28127723"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01792"
                           xFract="-0.00212322"
                           y3="6.30645"
                           yFract="0.74720972"
                           z3="4.3357"
                           zFract="0.19512601"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08508"
                           xFract="0.24704739"
                           y3="4.30271"
                           yFract="0.50979976"
                           z3="8.56276"
                           zFract="0.38536274"/>
                     <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="0.01187"
                           xFract="0.0014064"
                           y3="2.11849"
                           yFract="0.25100592"
                           z3="6.36471"
                           zFract="0.28644059"/>
                     <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="2.11849"
                           xFract="0.25100592"
                           y3="0.05435"
                           yFract="0.00643957"
                           z3="6.37903"
                           zFract="0.28708506"/>
                     <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="-0.04021"
                           xFract="-0.00476422"
                           y3="-0.02296"
                           yFract="-0.00272038"
                           z3="4.31568"
                           zFract="0.19422502"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06233"
                           xFract="-0.00738507"
                           y3="0.03377"
                           yFract="0.00400118"
                           z3="8.58386"
                           zFract="0.38631233"/>
                     <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="2.1546"
                           xFract="0.25528436"
                           y3="2.14915"
                           yFract="0.25463863"
                           z3="4.16785"
                           zFract="0.18757201"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3107"
                           xFract="0.27377962"
                           y3="1.93021"
                           yFract="0.22869787"
                           z3="9.2101"
                           zFract="0.41449595"/>
                     <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="2.10351"
                           yFract="0.24923104"
                           z3="6.45541"
                           zFract="0.2905225"/>
                     <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="6.31985"
                           xFract="0.74879739"
                           y3="0.09063"
                           yFract="0.01073815"
                           z3="6.44079"
                           zFract="0.28986454"/>
                     <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="4.24738"
                           xFract="0.50324408"
                           y3="0.00441"
                           yFract="0.00052251"
                           z3="4.22531"
                           zFract="0.19015797"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32788"
                           xFract="0.51278199"
                           y3="-0.02319"
                           yFract="-0.00274763"
                           z3="8.56819"
                           zFract="0.38560711"/>
                     <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="6.2886"
                           xFract="0.74509479"
                           y3="2.08042"
                           yFract="0.24649526"
                           z3="4.39623"
                           zFract="0.19785014"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30161"
                           xFract="0.74663626"
                           y3="2.06242"
                           yFract="0.24436256"
                           z3="8.52749"
                           zFract="0.38377543"/>
                     <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="-0.12585"
                           xFract="-0.01491114"
                           y3="6.33076"
                           yFract="0.75009005"
                           z3="6.4592"
                           zFract="0.29069307"/>
                     <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="2.08665"
                           xFract="0.24723341"
                           y3="4.16158"
                           yFract="0.4930782"
                           z3="6.4475"
                           zFract="0.29016652"/>
                     <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="0.02862"
                           xFract="0.003391"
                           y3="4.24223"
                           yFract="0.50263389"
                           z3="4.14033"
                           zFract="0.18633348"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08295"
                           xFract="0.0098282"
                           y3="4.15159"
                           yFract="0.49189455"
                           z3="8.91271"
                           zFract="0.40111206"/>
                     <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="2.13172"
                           xFract="0.25257346"
                           y3="6.31537"
                           yFract="0.74826659"
                           z3="4.32949"
                           zFract="0.19484653"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1150"
                           xFract="0.25059242"
                           y3="6.40607"
                           yFract="0.75901303"
                           z3="8.6198"
                           zFract="0.38792979"/>
                     <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="4.36215"
                           xFract="0.51684242"
                           y3="6.32718"
                           yFract="0.74966588"
                           z3="6.55515"
                           zFract="0.29501125"/>
                     <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="6.36031"
                           xFract="0.75359123"
                           y3="4.12097"
                           yFract="0.48826659"
                           z3="6.49343"
                           zFract="0.29223357"/>
                     <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="4.19453"
                           xFract="0.49698223"
                           y3="4.21188"
                           yFract="0.49903791"
                           z3="4.4017"
                           zFract="0.19809631"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20623"
                           xFract="0.49836848"
                           y3="4.20324"
                           yFract="0.49801422"
                           z3="8.58987"
                           zFract="0.38658281"/>
                     <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="6.29293"
                           xFract="0.74560782"
                           y3="6.35269"
                           yFract="0.75268839"
                           z3="4.05504"
                           zFract="0.18249505"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36575"
                           xFract="0.75423578"
                           y3="6.35273"
                           yFract="0.75269313"
                           z3="8.82702"
                           zFract="0.39725563"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18088"
                           xFract="0.2583981"
                           y3="2.02553"
                           yFract="0.23999171"
                           z3="10.17964"
                           zFract="0.45812961"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34221"
                           xFract="0.75144668"
                           y3="2.08234"
                           yFract="0.24672275"
                           z3="6.46303"
                           zFract="0.29086544"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.34953"
                           xFract="0.75231398"
                           y3="-0.04723"
                           yFract="-0.00559597"
                           z3="8.5470"
                           zFract="0.38465347"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2083"
                           xFract="0.49861374"
                           y3="-0.02761"
                           yFract="-0.00327133"
                           z3="6.47517"
                           zFract="0.29141179"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02614"
                           xFract="0.00309716"
                           y3="0.02678"
                           yFract="0.00317299"
                           z3="6.48757"
                           zFract="0.29196985"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27979"
                           xFract="0.50708412"
                           y3="2.06074"
                           yFract="0.24416351"
                           z3="8.51151"
                           zFract="0.38305626"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27773"
                           xFract="0.50684005"
                           y3="6.3414"
                           yFract="0.75135071"
                           z3="8.58646"
                           zFract="0.38642934"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22952"
                           xFract="0.50112796"
                           y3="4.23983"
                           yFract="0.50234953"
                           z3="6.46314"
                           zFract="0.29087039"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11994"
                           xFract="0.25117773"
                           y3="4.25486"
                           yFract="0.50413033"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23723"
                           xFract="0.50204147"
                           y3="2.11637"
                           yFract="0.25075474"
                           z3="4.27345"
                           zFract="0.19232448"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43094"
                           xFract="0.76195972"
                           y3="4.2090"
                           yFract="0.49869668"
                           z3="8.56916"
                           zFract="0.38565077"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31625"
                           xFract="0.74837085"
                           y3="-0.01261"
                           yFract="-0.00149408"
                           z3="4.24649"
                           zFract="0.19111116"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13458"
                           xFract="0.25291232"
                           y3="-0.0592"
                           yFract="-0.00701422"
                           z3="8.78935"
                           zFract="0.39556031"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33268"
                           xFract="0.75031754"
                           y3="6.34015"
                           yFract="0.75120261"
                           z3="6.48526"
                           zFract="0.29186589"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13847"
                           xFract="0.25337322"
                           y3="6.36554"
                           yFract="0.7542109"
                           z3="6.45775"
                           zFract="0.29062781"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07521"
                           xFract="-0.00891114"
                           y3="2.08246"
                           yFract="0.24673697"
                           z3="8.77769"
                           zFract="0.39503555"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00262"
                           xFract="0.00031043"
                           y3="4.2034"
                           yFract="0.49803318"
                           z3="6.47205"
                           zFract="0.29127138"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22244"
                           xFract="0.5002891"
                           y3="6.32937"
                           yFract="0.74992536"
                           z3="4.34853"
                           zFract="0.19570342"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3185"
                           xFract="0.74863744"
                           y3="4.22726"
                           yFract="0.50086019"
                           z3="4.26632"
                           zFract="0.1920036"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11749"
                           xFract="0.25088744"
                           y3="-0.02645"
                           yFract="-0.00313389"
                           z3="4.27565"
                           zFract="0.19242349"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04302"
                           xFract="-0.00509716"
                           y3="2.13998"
                           yFract="0.25355213"
                           z3="4.27308"
                           zFract="0.19230783"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.01272"
                           xFract="-0.00150711"
                           y3="6.32861"
                           yFract="0.74983531"
                           z3="8.66148"
                           zFract="0.38980558"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07523"
                           xFract="0.24588033"
                           y3="2.09642"
                           yFract="0.248391"
                           z3="6.24776"
                           zFract="0.28117732"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.02234"
                           xFract="-0.00264692"
                           y3="6.30912"
                           yFract="0.74752607"
                           z3="4.34006"
                           zFract="0.19532223"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.09247"
                           xFract="0.24792299"
                           y3="4.30243"
                           yFract="0.50976659"
                           z3="8.57183"
                           zFract="0.38577093"/>
                     <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="0.0158"
                           xFract="0.00187204"
                           y3="2.1176"
                           yFract="0.25090047"
                           z3="6.36719"
                           zFract="0.28655221"/>
                     <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="2.12004"
                           xFract="0.25118957"
                           y3="0.05367"
                           yFract="0.006359"
                           z3="6.38237"
                           zFract="0.28723537"/>
                     <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="-0.03761"
                           xFract="-0.00445616"
                           y3="-0.02422"
                           yFract="-0.00286967"
                           z3="4.32126"
                           zFract="0.19447615"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06133"
                           xFract="-0.00726659"
                           y3="0.04112"
                           yFract="0.00487204"
                           z3="8.59188"
                           zFract="0.38667327"/>
                     <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="2.15677"
                           xFract="0.25554147"
                           y3="2.14878"
                           yFract="0.25459479"
                           z3="4.17272"
                           zFract="0.18779118"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31189"
                           xFract="0.27392062"
                           y3="1.9289"
                           yFract="0.22854265"
                           z3="9.22145"
                           zFract="0.41500675"/>
                     <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="4.15892"
                           xFract="0.49276303"
                           y3="2.10171"
                           yFract="0.24901777"
                           z3="6.46341"
                           zFract="0.29088254"/>
                     <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="6.31967"
                           xFract="0.74877607"
                           y3="0.08916"
                           yFract="0.01056398"
                           z3="6.44757"
                           zFract="0.29016967"/>
                     <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="4.24711"
                           xFract="0.50321209"
                           y3="0.0040"
                           yFract="0.00047393"
                           z3="4.22615"
                           zFract="0.19019577"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32688"
                           xFract="0.51266351"
                           y3="-0.02063"
                           yFract="-0.00244431"
                           z3="8.57264"
                           zFract="0.38580738"/>
                     <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="6.28721"
                           xFract="0.74493009"
                           y3="2.08155"
                           yFract="0.24662915"
                           z3="4.41273"
                           zFract="0.19859271"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31523"
                           xFract="0.74825"
                           y3="2.05969"
                           yFract="0.2440391"
                           z3="8.53971"
                           zFract="0.38432538"/>
                     <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="-0.12415"
                           xFract="-0.01470972"
                           y3="6.32743"
                           yFract="0.7496955"
                           z3="6.4646"
                           zFract="0.29093609"/>
                     <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="2.08099"
                           xFract="0.2465628"
                           y3="4.15942"
                           yFract="0.49282227"
                           z3="6.4537"
                           zFract="0.29044554"/>
                     <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="0.02967"
                           xFract="0.0035154"
                           y3="4.24388"
                           yFract="0.50282938"
                           z3="4.1449"
                           zFract="0.18653915"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08626"
                           xFract="0.01022038"
                           y3="4.14464"
                           yFract="0.49107109"
                           z3="8.91911"
                           zFract="0.40140009"/>
                     <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="2.13345"
                           xFract="0.25277844"
                           y3="6.3158"
                           yFract="0.74831754"
                           z3="4.33746"
                           zFract="0.19520522"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11448"
                           xFract="0.25053081"
                           y3="6.40197"
                           yFract="0.75852725"
                           z3="8.63012"
                           zFract="0.38839424"/>
                     <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="4.3644"
                           xFract="0.517109"
                           y3="6.32776"
                           yFract="0.7497346"
                           z3="6.56263"
                           zFract="0.29534788"/>
                     <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="6.36623"
                           xFract="0.75429265"
                           y3="4.12178"
                           yFract="0.48836256"
                           z3="6.49972"
                           zFract="0.29251665"/>
                     <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="4.19516"
                           xFract="0.49705687"
                           y3="4.2095"
                           yFract="0.49875592"
                           z3="4.40813"
                           zFract="0.19838569"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2052"
                           xFract="0.49824645"
                           y3="4.19986"
                           yFract="0.49761374"
                           z3="8.59383"
                           zFract="0.38676103"/>
                     <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="6.28892"
                           xFract="0.7451327"
                           y3="6.35107"
                           yFract="0.75249645"
                           z3="4.06691"
                           zFract="0.18302925"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3706"
                           xFract="0.75481043"
                           y3="6.35405"
                           yFract="0.75284953"
                           z3="8.84489"
                           zFract="0.39805986"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17885"
                           xFract="0.25815758"
                           y3="2.03063"
                           yFract="0.24059597"
                           z3="10.17086"
                           zFract="0.45773447"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34113"
                           xFract="0.75131872"
                           y3="2.08427"
                           yFract="0.24695142"
                           z3="6.4582"
                           zFract="0.29064806"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35272"
                           xFract="0.75269194"
                           y3="-0.04194"
                           yFract="-0.00496919"
                           z3="8.54291"
                           zFract="0.3844694"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20883"
                           xFract="0.49867654"
                           y3="-0.02414"
                           yFract="-0.00286019"
                           z3="6.47084"
                           zFract="0.29121692"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02589"
                           xFract="0.00306754"
                           y3="0.0263"
                           yFract="0.00311611"
                           z3="6.48383"
                           zFract="0.29180153"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.27953"
                           xFract="0.50705332"
                           y3="2.06131"
                           yFract="0.24423104"
                           z3="8.50923"
                           zFract="0.38295365"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27333"
                           xFract="0.50631872"
                           y3="6.3448"
                           yFract="0.75175355"
                           z3="8.58169"
                           zFract="0.38621467"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22878"
                           xFract="0.50104028"
                           y3="4.23843"
                           yFract="0.50218365"
                           z3="6.46014"
                           zFract="0.29073537"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1181"
                           xFract="0.25095972"
                           y3="4.25682"
                           yFract="0.50436256"
                           z3="4.24612"
                           zFract="0.19109451"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23947"
                           xFract="0.50230687"
                           y3="2.1169"
                           yFract="0.25081754"
                           z3="4.27263"
                           zFract="0.19228758"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43256"
                           xFract="0.76215166"
                           y3="4.20837"
                           yFract="0.49862204"
                           z3="8.56439"
                           zFract="0.38543609"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31474"
                           xFract="0.74819194"
                           y3="-0.01101"
                           yFract="-0.0013045"
                           z3="4.24624"
                           zFract="0.19109991"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13222"
                           xFract="0.2526327"
                           y3="-0.06026"
                           yFract="-0.00713981"
                           z3="8.78455"
                           zFract="0.39534428"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33344"
                           xFract="0.75040758"
                           y3="6.3404"
                           yFract="0.75123223"
                           z3="6.47992"
                           zFract="0.29162556"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13684"
                           xFract="0.25318009"
                           y3="6.36656"
                           yFract="0.75433175"
                           z3="6.45146"
                           zFract="0.29034473"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07142"
                           xFract="-0.00846209"
                           y3="2.08513"
                           yFract="0.24705332"
                           z3="8.7720"
                           zFract="0.39477948"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00153"
                           xFract="0.00018128"
                           y3="4.20515"
                           yFract="0.49824052"
                           z3="6.46685"
                           zFract="0.29103735"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.22007"
                           xFract="0.50000829"
                           y3="6.32969"
                           yFract="0.74996327"
                           z3="4.34674"
                           zFract="0.19562286"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31828"
                           xFract="0.74861137"
                           y3="4.22766"
                           yFract="0.50090758"
                           z3="4.2669"
                           zFract="0.1920297"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11828"
                           xFract="0.25098104"
                           y3="-0.02549"
                           yFract="-0.00302014"
                           z3="4.27364"
                           zFract="0.19233303"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04253"
                           xFract="-0.0050391"
                           y3="2.14022"
                           yFract="0.25358057"
                           z3="4.27248"
                           zFract="0.19228083"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00928"
                           xFract="-0.00109953"
                           y3="6.32953"
                           yFract="0.74994431"
                           z3="8.65387"
                           zFract="0.3894631"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07454"
                           xFract="0.24579858"
                           y3="2.09583"
                           yFract="0.24832109"
                           z3="6.2493"
                           zFract="0.28124662"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01926"
                           xFract="-0.00228199"
                           y3="6.30726"
                           yFract="0.74730569"
                           z3="4.33702"
                           zFract="0.19518542"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08733"
                           xFract="0.24731398"
                           y3="4.30263"
                           yFract="0.50979028"
                           z3="8.56551"
                           zFract="0.3854865"/>
                     <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="0.01307"
                           xFract="0.00154858"
                           y3="2.11822"
                           yFract="0.25097393"
                           z3="6.36546"
                           zFract="0.28647435"/>
                     <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="2.11896"
                           xFract="0.25106161"
                           y3="0.05415"
                           yFract="0.00641588"
                           z3="6.38004"
                           zFract="0.28713051"/>
                     <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="-0.03942"
                           xFract="-0.00467062"
                           y3="-0.02335"
                           yFract="-0.00276659"
                           z3="4.31738"
                           zFract="0.19430153"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06203"
                           xFract="-0.00734953"
                           y3="0.0360"
                           yFract="0.0042654"
                           z3="8.58629"
                           zFract="0.38642169"/>
                     <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="2.15526"
                           xFract="0.25536256"
                           y3="2.14904"
                           yFract="0.25462559"
                           z3="4.16933"
                           zFract="0.18763861"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31106"
                           xFract="0.27382227"
                           y3="1.92981"
                           yFract="0.22865047"
                           z3="9.21355"
                           zFract="0.41465122"/>
                     <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="4.16099"
                           xFract="0.49300829"
                           y3="2.10296"
                           yFract="0.24916588"
                           z3="6.45784"
                           zFract="0.29063186"/>
                     <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="6.3198"
                           xFract="0.74879147"
                           y3="0.09018"
                           yFract="0.01068483"
                           z3="6.44285"
                           zFract="0.28995725"/>
                     <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="4.24729"
                           xFract="0.50323341"
                           y3="0.00428"
                           yFract="0.00050711"
                           z3="4.22557"
                           zFract="0.19016967"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32757"
                           xFract="0.51274526"
                           y3="-0.02241"
                           yFract="-0.00265521"
                           z3="8.56954"
                           zFract="0.38566787"/>
                     <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="6.28818"
                           xFract="0.74504502"
                           y3="2.08077"
                           yFract="0.24653673"
                           z3="4.40125"
                           zFract="0.19807606"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30575"
                           xFract="0.74712678"
                           y3="2.06159"
                           yFract="0.24426422"
                           z3="8.53121"
                           zFract="0.38394284"/>
                     <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="-0.12533"
                           xFract="-0.01484953"
                           y3="6.32975"
                           yFract="0.74997038"
                           z3="6.46084"
                           zFract="0.29076688"/>
                     <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="2.08493"
                           xFract="0.24702962"
                           y3="4.16092"
                           yFract="0.4930"
                           z3="6.44939"
                           zFract="0.29025158"/>
                     <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="0.02894"
                           xFract="0.00342891"
                           y3="4.24274"
                           yFract="0.50269431"
                           z3="4.14172"
                           zFract="0.18639604"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08396"
                           xFract="0.00994787"
                           y3="4.14948"
                           yFract="0.49164455"
                           z3="8.91466"
                           zFract="0.40119982"/>
                     <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="2.13224"
                           xFract="0.25263507"
                           y3="6.3155"
                           yFract="0.74828199"
                           z3="4.33191"
                           zFract="0.19495545"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11484"
                           xFract="0.25057346"
                           y3="6.40483"
                           yFract="0.75886611"
                           z3="8.62294"
                           zFract="0.38807111"/>
                     <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="4.36283"
                           xFract="0.51692299"
                           y3="6.32735"
                           yFract="0.74968602"
                           z3="6.55743"
                           zFract="0.29511386"/>
                     <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="6.36211"
                           xFract="0.7538045"
                           y3="4.12121"
                           yFract="0.48829502"
                           z3="6.49534"
                           zFract="0.29231953"/>
                     <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="4.19472"
                           xFract="0.49700474"
                           y3="4.21116"
                           yFract="0.49895261"
                           z3="4.40366"
                           zFract="0.19818452"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20592"
                           xFract="0.49833175"
                           y3="4.20222"
                           yFract="0.49789336"
                           z3="8.59107"
                           zFract="0.38663681"/>
                     <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="6.29171"
                           xFract="0.74546327"
                           y3="6.3522"
                           yFract="0.75263033"
                           z3="4.05865"
                           zFract="0.18265752"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36723"
                           xFract="0.75441114"
                           y3="6.35313"
                           yFract="0.75274052"
                           z3="8.83245"
                           zFract="0.3975"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17888"
                           xFract="0.25816114"
                           y3="2.03025"
                           yFract="0.24055095"
                           z3="10.17838"
                           zFract="0.45807291"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3419"
                           xFract="0.75140995"
                           y3="2.08494"
                           yFract="0.24703081"
                           z3="6.46001"
                           zFract="0.29072952"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35361"
                           xFract="0.75279739"
                           y3="-0.04182"
                           yFract="-0.00495498"
                           z3="8.54467"
                           zFract="0.3845486"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20848"
                           xFract="0.49863507"
                           y3="-0.02387"
                           yFract="-0.0028282"
                           z3="6.47123"
                           zFract="0.29123447"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02612"
                           xFract="0.00309479"
                           y3="0.0257"
                           yFract="0.00304502"
                           z3="6.48535"
                           zFract="0.29186994"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28083"
                           xFract="0.50720735"
                           y3="2.06108"
                           yFract="0.24420379"
                           z3="8.5097"
                           zFract="0.3829748"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27339"
                           xFract="0.50632583"
                           y3="6.34522"
                           yFract="0.75180332"
                           z3="8.58303"
                           zFract="0.38627498"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22915"
                           xFract="0.50108412"
                           y3="4.23823"
                           yFract="0.50215995"
                           z3="6.46029"
                           zFract="0.29074212"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11838"
                           xFract="0.25099289"
                           y3="4.25776"
                           yFract="0.50447393"
                           z3="4.24685"
                           zFract="0.19112736"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23996"
                           xFract="0.50236493"
                           y3="2.1163"
                           yFract="0.25074645"
                           z3="4.27337"
                           zFract="0.19232088"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43266"
                           xFract="0.76216351"
                           y3="4.20833"
                           yFract="0.4986173"
                           z3="8.56522"
                           zFract="0.38547345"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31415"
                           xFract="0.74812204"
                           y3="-0.01096"
                           yFract="-0.00129858"
                           z3="4.24653"
                           zFract="0.19111296"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13263"
                           xFract="0.25268128"
                           y3="-0.06096"
                           yFract="-0.00722275"
                           z3="8.78538"
                           zFract="0.39538164"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33388"
                           xFract="0.75045972"
                           y3="6.34015"
                           yFract="0.75120261"
                           z3="6.4809"
                           zFract="0.29166967"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13682"
                           xFract="0.25317773"
                           y3="6.36678"
                           yFract="0.75435782"
                           z3="6.45318"
                           zFract="0.29042214"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07171"
                           xFract="-0.00849645"
                           y3="2.08541"
                           yFract="0.24708649"
                           z3="8.7735"
                           zFract="0.39484698"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00178"
                           xFract="0.0002109"
                           y3="4.20457"
                           yFract="0.4981718"
                           z3="6.46814"
                           zFract="0.29109541"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21946"
                           xFract="0.49993602"
                           y3="6.33002"
                           yFract="0.75000237"
                           z3="4.3468"
                           zFract="0.19562556"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31833"
                           xFract="0.7486173"
                           y3="4.2270"
                           yFract="0.50082938"
                           z3="4.26676"
                           zFract="0.1920234"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11887"
                           xFract="0.25105095"
                           y3="-0.02658"
                           yFract="-0.00314929"
                           z3="4.27409"
                           zFract="0.19235329"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.0432"
                           xFract="-0.00511848"
                           y3="2.14033"
                           yFract="0.2535936"
                           z3="4.27298"
                           zFract="0.19230333"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0085"
                           xFract="-0.00100711"
                           y3="6.32962"
                           yFract="0.74995498"
                           z3="8.65527"
                           zFract="0.3895261"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.0749"
                           xFract="0.24584123"
                           y3="2.09556"
                           yFract="0.2482891"
                           z3="6.2499"
                           zFract="0.28127363"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01884"
                           xFract="-0.00223223"
                           y3="6.30707"
                           yFract="0.74728318"
                           z3="4.33739"
                           zFract="0.19520207"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08706"
                           xFract="0.24728199"
                           y3="4.30235"
                           yFract="0.50975711"
                           z3="8.56714"
                           zFract="0.38555986"/>
                     <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="0.01364"
                           xFract="0.00161611"
                           y3="2.11742"
                           yFract="0.25087915"
                           z3="6.36585"
                           zFract="0.2864919"/>
                     <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="2.11899"
                           xFract="0.25106517"
                           y3="0.05335"
                           yFract="0.00632109"
                           z3="6.38102"
                           zFract="0.28717462"/>
                     <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="-0.0395"
                           xFract="-0.00468009"
                           y3="-0.02307"
                           yFract="-0.00273341"
                           z3="4.31847"
                           zFract="0.19435059"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06192"
                           xFract="-0.00733649"
                           y3="0.0359"
                           yFract="0.00425355"
                           z3="8.58747"
                           zFract="0.3864748"/>
                     <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="2.15496"
                           xFract="0.25532701"
                           y3="2.14918"
                           yFract="0.25464218"
                           z3="4.16895"
                           zFract="0.18762151"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.3111"
                           xFract="0.27382701"
                           y3="1.92825"
                           yFract="0.22846564"
                           z3="9.21048"
                           zFract="0.41451305"/>
                     <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="4.16086"
                           xFract="0.49299289"
                           y3="2.10245"
                           yFract="0.24910545"
                           z3="6.45946"
                           zFract="0.29070477"/>
                     <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="6.31987"
                           xFract="0.74879976"
                           y3="0.08931"
                           yFract="0.01058175"
                           z3="6.4446"
                           zFract="0.290036"/>
                     <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="4.24745"
                           xFract="0.50325237"
                           y3="0.00547"
                           yFract="0.0006481"
                           z3="4.22599"
                           zFract="0.19018857"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32749"
                           xFract="0.51273578"
                           y3="-0.02333"
                           yFract="-0.00276422"
                           z3="8.57084"
                           zFract="0.38572637"/>
                     <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="6.28788"
                           xFract="0.74500948"
                           y3="2.08018"
                           yFract="0.24646682"
                           z3="4.40334"
                           zFract="0.19817012"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30594"
                           xFract="0.74714929"
                           y3="2.06108"
                           yFract="0.24420379"
                           z3="8.53323"
                           zFract="0.38403375"/>
                     <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="-0.12576"
                           xFract="-0.01490047"
                           y3="6.32957"
                           yFract="0.74994905"
                           z3="6.46282"
                           zFract="0.29085599"/>
                     <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="2.08473"
                           xFract="0.24700592"
                           y3="4.16157"
                           yFract="0.49307701"
                           z3="6.45089"
                           zFract="0.29031908"/>
                     <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="0.02917"
                           xFract="0.00345616"
                           y3="4.24277"
                           yFract="0.50269787"
                           z3="4.14248"
                           zFract="0.18643024"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08433"
                           xFract="0.00999171"
                           y3="4.1474"
                           yFract="0.4913981"
                           z3="8.91605"
                           zFract="0.40126238"/>
                     <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="2.13298"
                           xFract="0.25272275"
                           y3="6.31482"
                           yFract="0.74820142"
                           z3="4.33356"
                           zFract="0.1950297"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11435"
                           xFract="0.2505154"
                           y3="6.40544"
                           yFract="0.75893839"
                           z3="8.62501"
                           zFract="0.38816427"/>
                     <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="4.36333"
                           xFract="0.51698223"
                           y3="6.32711"
                           yFract="0.74965758"
                           z3="6.55999"
                           zFract="0.29522907"/>
                     <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="6.36295"
                           xFract="0.75390403"
                           y3="4.1214"
                           yFract="0.48831754"
                           z3="6.49754"
                           zFract="0.29241854"/>
                     <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="4.2098"
                           yFract="0.49879147"
                           z3="4.40542"
                           zFract="0.19826373"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20654"
                           xFract="0.49840521"
                           y3="4.20166"
                           yFract="0.49782701"
                           z3="8.59182"
                           zFract="0.38667057"/>
                     <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="6.29142"
                           xFract="0.74542891"
                           y3="6.35219"
                           yFract="0.75262915"
                           z3="4.06086"
                           zFract="0.18275698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3672"
                           xFract="0.75440758"
                           y3="6.3524"
                           yFract="0.75265403"
                           z3="8.8355"
                           zFract="0.39763726"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17887"
                           xFract="0.25815995"
                           y3="2.03039"
                           yFract="0.24056754"
                           z3="10.17565"
                           zFract="0.45795005"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34162"
                           xFract="0.75137678"
                           y3="2.0847"
                           yFract="0.24700237"
                           z3="6.45935"
                           zFract="0.29069982"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35329"
                           xFract="0.75275948"
                           y3="-0.04186"
                           yFract="-0.00495972"
                           z3="8.54403"
                           zFract="0.3845198"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20861"
                           xFract="0.49865047"
                           y3="-0.02397"
                           yFract="-0.00284005"
                           z3="6.47109"
                           zFract="0.29122817"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02604"
                           xFract="0.00308531"
                           y3="0.02592"
                           yFract="0.00307109"
                           z3="6.4848"
                           zFract="0.29184518"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28035"
                           xFract="0.50715047"
                           y3="2.06116"
                           yFract="0.24421327"
                           z3="8.50953"
                           zFract="0.38296715"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27337"
                           xFract="0.50632346"
                           y3="6.34507"
                           yFract="0.75178555"
                           z3="8.58254"
                           zFract="0.38625293"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22902"
                           xFract="0.50106872"
                           y3="4.2383"
                           yFract="0.50216825"
                           z3="6.46023"
                           zFract="0.29073942"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11828"
                           xFract="0.25098104"
                           y3="4.25742"
                           yFract="0.50443365"
                           z3="4.24659"
                           zFract="0.19111566"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.23978"
                           xFract="0.5023436"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="4.2731"
                           zFract="0.19230873"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43262"
                           xFract="0.76215877"
                           y3="4.20835"
                           yFract="0.49861967"
                           z3="8.56492"
                           zFract="0.38545995"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31436"
                           xFract="0.74814692"
                           y3="-0.01098"
                           yFract="-0.00130095"
                           z3="4.24642"
                           zFract="0.19110801"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13248"
                           xFract="0.25266351"
                           y3="-0.0607"
                           yFract="-0.00719194"
                           z3="8.78508"
                           zFract="0.39536814"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33372"
                           xFract="0.75044076"
                           y3="6.34024"
                           yFract="0.75121327"
                           z3="6.48055"
                           zFract="0.29165392"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13683"
                           xFract="0.25317891"
                           y3="6.3667"
                           yFract="0.75434834"
                           z3="6.45255"
                           zFract="0.29039379"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.0716"
                           xFract="-0.00848341"
                           y3="2.08531"
                           yFract="0.24707464"
                           z3="8.77295"
                           zFract="0.39482223"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00169"
                           xFract="0.00020024"
                           y3="4.20478"
                           yFract="0.49819668"
                           z3="6.46767"
                           zFract="0.29107426"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21968"
                           xFract="0.49996209"
                           y3="6.3299"
                           yFract="0.74998815"
                           z3="4.34678"
                           zFract="0.19562466"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31831"
                           xFract="0.74861493"
                           y3="4.22724"
                           yFract="0.50085782"
                           z3="4.26681"
                           zFract="0.19202565"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11865"
                           xFract="0.25102488"
                           y3="-0.02619"
                           yFract="-0.00310308"
                           z3="4.27392"
                           zFract="0.19234563"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04296"
                           xFract="-0.00509005"
                           y3="2.14029"
                           yFract="0.25358886"
                           z3="4.2728"
                           zFract="0.19229523"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00878"
                           xFract="-0.00104028"
                           y3="6.32959"
                           yFract="0.74995142"
                           z3="8.65476"
                           zFract="0.38950315"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07477"
                           xFract="0.24582583"
                           y3="2.09566"
                           yFract="0.24830095"
                           z3="6.24968"
                           zFract="0.28126373"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01899"
                           xFract="-0.00225"
                           y3="6.30714"
                           yFract="0.74729147"
                           z3="4.33725"
                           zFract="0.19519577"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08716"
                           xFract="0.24729384"
                           y3="4.30245"
                           yFract="0.50976896"
                           z3="8.56655"
                           zFract="0.3855333"/>
                     <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="0.01343"
                           xFract="0.00159123"
                           y3="2.11771"
                           yFract="0.25091351"
                           z3="6.36571"
                           zFract="0.2864856"/>
                     <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="2.11898"
                           xFract="0.25106398"
                           y3="0.05364"
                           yFract="0.00635545"
                           z3="6.38066"
                           zFract="0.28715842"/>
                     <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="-0.03947"
                           xFract="-0.00467654"
                           y3="-0.02317"
                           yFract="-0.00274526"
                           z3="4.31807"
                           zFract="0.19433258"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06196"
                           xFract="-0.00734123"
                           y3="0.03593"
                           yFract="0.00425711"
                           z3="8.58704"
                           zFract="0.38645545"/>
                     <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="2.15507"
                           xFract="0.25534005"
                           y3="2.14913"
                           yFract="0.25463626"
                           z3="4.16909"
                           zFract="0.18762781"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.31109"
                           xFract="0.27382583"
                           y3="1.92882"
                           yFract="0.22853318"
                           z3="9.2116"
                           zFract="0.41456346"/>
                     <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="4.16091"
                           xFract="0.49299882"
                           y3="2.10264"
                           yFract="0.24912796"
                           z3="6.45887"
                           zFract="0.29067822"/>
                     <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="6.31984"
                           xFract="0.74879621"
                           y3="0.08963"
                           yFract="0.01061967"
                           z3="6.44396"
                           zFract="0.2900072"/>
                     <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="4.24739"
                           xFract="0.50324526"
                           y3="0.00504"
                           yFract="0.00059716"
                           z3="4.22583"
                           zFract="0.19018137"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32752"
                           xFract="0.51273934"
                           y3="-0.0230"
                           yFract="-0.00272512"
                           z3="8.57037"
                           zFract="0.38570522"/>
                     <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="6.28799"
                           xFract="0.74502251"
                           y3="2.08039"
                           yFract="0.24649171"
                           z3="4.40258"
                           zFract="0.19813591"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30587"
                           xFract="0.747141"
                           y3="2.06126"
                           yFract="0.24422512"
                           z3="8.5325"
                           zFract="0.3840009"/>
                     <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="-0.12561"
                           xFract="-0.0148827"
                           y3="6.32963"
                           yFract="0.74995616"
                           z3="6.4621"
                           zFract="0.29082358"/>
                     <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="2.0848"
                           xFract="0.24701422"
                           y3="4.16134"
                           yFract="0.49304976"
                           z3="6.45034"
                           zFract="0.29029433"/>
                     <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="0.02908"
                           xFract="0.0034455"
                           y3="4.24276"
                           yFract="0.50269668"
                           z3="4.1422"
                           zFract="0.18641764"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08419"
                           xFract="0.00997512"
                           y3="4.14816"
                           yFract="0.49148815"
                           z3="8.91555"
                           zFract="0.40123987"/>
                     <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="2.13271"
                           xFract="0.25269076"
                           y3="6.31507"
                           yFract="0.74823104"
                           z3="4.33296"
                           zFract="0.1950027"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11453"
                           xFract="0.25053673"
                           y3="6.40522"
                           yFract="0.75891232"
                           z3="8.62426"
                           zFract="0.38813051"/>
                     <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="4.36315"
                           xFract="0.5169609"
                           y3="6.3272"
                           yFract="0.74966825"
                           z3="6.55906"
                           zFract="0.29518722"/>
                     <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="6.36264"
                           xFract="0.7538673"
                           y3="4.12133"
                           yFract="0.48830924"
                           z3="6.49674"
                           zFract="0.29238254"/>
                     <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="4.19484"
                           xFract="0.49701896"
                           y3="4.21029"
                           yFract="0.49884953"
                           z3="4.40478"
                           zFract="0.19823492"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20631"
                           xFract="0.49837796"
                           y3="4.20186"
                           yFract="0.49785071"
                           z3="8.59155"
                           zFract="0.38665842"/>
                     <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="6.29152"
                           xFract="0.74544076"
                           y3="6.3522"
                           yFract="0.75263033"
                           z3="4.06005"
                           zFract="0.18272052"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36721"
                           xFract="0.75440877"
                           y3="6.35266"
                           yFract="0.75268483"
                           z3="8.83439"
                           zFract="0.39758731"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.17976"
                           xFract="0.2582654"
                           y3="2.02982"
                           yFract="0.2405"
                           z3="10.17689"
                           zFract="0.45800585"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34263"
                           xFract="0.75149645"
                           y3="2.08582"
                           yFract="0.24713507"
                           z3="6.46111"
                           zFract="0.29077903"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35501"
                           xFract="0.75296327"
                           y3="-0.04101"
                           yFract="-0.004859"
                           z3="8.54595"
                           zFract="0.38460621"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20829"
                           xFract="0.49861256"
                           y3="-0.02305"
                           yFract="-0.00273104"
                           z3="6.47102"
                           zFract="0.29122502"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02633"
                           xFract="0.00311967"
                           y3="0.02492"
                           yFract="0.00295261"
                           z3="6.48628"
                           zFract="0.29191179"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2821"
                           xFract="0.50735782"
                           y3="2.06088"
                           yFract="0.24418009"
                           z3="8.50992"
                           zFract="0.3829847"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2727"
                           xFract="0.50624408"
                           y3="6.3462"
                           yFract="0.75191943"
                           z3="8.58378"
                           zFract="0.38630873"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22941"
                           xFract="0.50111493"
                           y3="4.2378"
                           yFract="0.502109"
                           z3="6.46005"
                           zFract="0.29073132"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11846"
                           xFract="0.25100237"
                           y3="4.25897"
                           yFract="0.5046173"
                           z3="4.24744"
                           zFract="0.19115392"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24078"
                           xFract="0.50246209"
                           y3="2.1158"
                           yFract="0.2506872"
                           z3="4.27409"
                           zFract="0.19235329"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43296"
                           xFract="0.76219905"
                           y3="4.20836"
                           yFract="0.49862085"
                           z3="8.56545"
                           zFract="0.3854838"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31325"
                           xFract="0.7480154"
                           y3="-0.01068"
                           yFract="-0.0012654"
                           z3="4.24691"
                           zFract="0.19113006"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13272"
                           xFract="0.25269194"
                           y3="-0.06195"
                           yFract="-0.00734005"
                           z3="8.7855"
                           zFract="0.39538704"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.3344"
                           xFract="0.75052133"
                           y3="6.33991"
                           yFract="0.75117417"
                           z3="6.48111"
                           zFract="0.29167912"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13656"
                           xFract="0.25314692"
                           y3="6.36715"
                           yFract="0.75440166"
                           z3="6.45405"
                           zFract="0.2904613"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07149"
                           xFract="-0.00847038"
                           y3="2.08605"
                           yFract="0.24716232"
                           z3="8.7742"
                           zFract="0.39487849"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0019"
                           xFract="0.00022512"
                           y3="4.20425"
                           yFract="0.49813389"
                           z3="6.46865"
                           zFract="0.29111836"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21843"
                           xFract="0.49981398"
                           y3="6.33039"
                           yFract="0.75004621"
                           z3="4.34669"
                           zFract="0.19562061"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31827"
                           xFract="0.74861019"
                           y3="4.22635"
                           yFract="0.50075237"
                           z3="4.26675"
                           zFract="0.19202295"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.11964"
                           xFract="0.25114218"
                           y3="-0.02755"
                           yFract="-0.00326422"
                           z3="4.27426"
                           zFract="0.19236094"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04378"
                           xFract="-0.0051872"
                           y3="2.14043"
                           yFract="0.25360545"
                           z3="4.27349"
                           zFract="0.19232628"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00711"
                           xFract="-0.00084242"
                           y3="6.32986"
                           yFract="0.74998341"
                           z3="8.65552"
                           zFract="0.38953735"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07517"
                           xFract="0.24587322"
                           y3="2.09518"
                           yFract="0.24824408"
                           z3="6.25082"
                           zFract="0.28131503"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01784"
                           xFract="-0.00211374"
                           y3="6.30657"
                           yFract="0.74722393"
                           z3="4.33733"
                           zFract="0.19519937"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08599"
                           xFract="0.24715521"
                           y3="4.30203"
                           yFract="0.50971919"
                           z3="8.56777"
                           zFract="0.38558821"/>
                     <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="0.01375"
                           xFract="0.00162915"
                           y3="2.11665"
                           yFract="0.25078791"
                           z3="6.36608"
                           zFract="0.28650225"/>
                     <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="2.11885"
                           xFract="0.25104858"
                           y3="0.05261"
                           yFract="0.00623341"
                           z3="6.38167"
                           zFract="0.28720387"/>
                     <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="-0.03992"
                           xFract="-0.00472986"
                           y3="-0.02274"
                           yFract="-0.00269431"
                           z3="4.31894"
                           zFract="0.19437174"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06187"
                           xFract="-0.00733057"
                           y3="0.0352"
                           yFract="0.00417062"
                           z3="8.58789"
                           zFract="0.3864937"/>
                     <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="2.1544"
                           xFract="0.25526066"
                           y3="2.14934"
                           yFract="0.25466114"
                           z3="4.16815"
                           zFract="0.18758551"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30947"
                           xFract="0.27363389"
                           y3="1.92766"
                           yFract="0.22839573"
                           z3="9.21432"
                           zFract="0.41468587"/>
                     <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="4.16112"
                           xFract="0.4930237"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="6.46021"
                           zFract="0.29073852"/>
                     <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="6.31993"
                           xFract="0.74880687"
                           y3="0.08863"
                           yFract="0.01050118"
                           z3="6.44576"
                           zFract="0.29008821"/>
                     <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="4.2476"
                           xFract="0.50327014"
                           y3="0.00696"
                           yFract="0.00082464"
                           z3="4.22635"
                           zFract="0.19020477"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32757"
                           xFract="0.51274526"
                           y3="-0.02452"
                           yFract="-0.00290521"
                           z3="8.57172"
                           zFract="0.38576598"/>
                     <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="6.28778"
                           xFract="0.74499763"
                           y3="2.0795"
                           yFract="0.24638626"
                           z3="4.40357"
                           zFract="0.19818047"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3051"
                           xFract="0.74704976"
                           y3="2.06091"
                           yFract="0.24418365"
                           z3="8.53391"
                           zFract="0.38406436"/>
                     <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="-0.12633"
                           xFract="-0.01496801"
                           y3="6.32975"
                           yFract="0.74997038"
                           z3="6.46435"
                           zFract="0.29092484"/>
                     <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="2.08525"
                           xFract="0.24706754"
                           y3="4.16256"
                           yFract="0.49319431"
                           z3="6.45187"
                           zFract="0.29036319"/>
                     <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="0.02923"
                           xFract="0.00346327"
                           y3="4.24262"
                           yFract="0.50268009"
                           z3="4.14268"
                           zFract="0.18643924"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08428"
                           xFract="0.00998578"
                           y3="4.14577"
                           yFract="0.49120498"
                           z3="8.91683"
                           zFract="0.40129748"/>
                     <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="2.13351"
                           xFract="0.25278555"
                           y3="6.3141"
                           yFract="0.74811611"
                           z3="4.33436"
                           zFract="0.19506571"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11382"
                           xFract="0.25045261"
                           y3="6.40647"
                           yFract="0.75906043"
                           z3="8.62608"
                           zFract="0.38821242"/>
                     <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="4.36362"
                           xFract="0.51701659"
                           y3="6.32678"
                           yFract="0.74961848"
                           z3="6.56174"
                           zFract="0.29530783"/>
                     <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="6.36315"
                           xFract="0.75392773"
                           y3="4.12152"
                           yFract="0.48833175"
                           z3="6.49914"
                           zFract="0.29249055"/>
                     <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="4.19511"
                           xFract="0.49705095"
                           y3="4.20848"
                           yFract="0.49863507"
                           z3="4.40651"
                           zFract="0.19831278"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20722"
                           xFract="0.49848578"
                           y3="4.20146"
                           yFract="0.49780332"
                           z3="8.59223"
                           zFract="0.38668902"/>
                     <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="6.29158"
                           xFract="0.74544787"
                           y3="6.35238"
                           yFract="0.75265166"
                           z3="4.0616"
                           zFract="0.18279028"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36682"
                           xFract="0.75436256"
                           y3="6.35149"
                           yFract="0.75254621"
                           z3="8.83658"
                           zFract="0.39768587"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a39" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.80">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18105"
                           xFract="0.25841825"
                           y3="2.0290"
                           yFract="0.24040284"
                           z3="10.17869"
                           zFract="0.45808686"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3441"
                           xFract="0.75167062"
                           y3="2.08746"
                           yFract="0.24732938"
                           z3="6.46366"
                           zFract="0.29089379"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35751"
                           xFract="0.75325948"
                           y3="-0.03976"
                           yFract="-0.0047109"
                           z3="8.54874"
                           zFract="0.38473177"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20782"
                           xFract="0.49855687"
                           y3="-0.02171"
                           yFract="-0.00257227"
                           z3="6.47092"
                           zFract="0.29122052"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02674"
                           xFract="0.00316825"
                           y3="0.02346"
                           yFract="0.00277962"
                           z3="6.48842"
                           zFract="0.2920081"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28463"
                           xFract="0.50765758"
                           y3="2.06047"
                           yFract="0.24413152"
                           z3="8.51048"
                           zFract="0.3830099"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27173"
                           xFract="0.50612915"
                           y3="6.34785"
                           yFract="0.75211493"
                           z3="8.58557"
                           zFract="0.38638929"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22998"
                           xFract="0.50118246"
                           y3="4.23708"
                           yFract="0.5020237"
                           z3="6.45977"
                           zFract="0.29071872"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11873"
                           xFract="0.25103436"
                           y3="4.26123"
                           yFract="0.50488507"
                           z3="4.24867"
                           zFract="0.19120927"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24224"
                           xFract="0.50263507"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="4.27553"
                           zFract="0.19241809"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43346"
                           xFract="0.76225829"
                           y3="4.20839"
                           yFract="0.49862441"
                           z3="8.56622"
                           zFract="0.38551845"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31163"
                           xFract="0.74782346"
                           y3="-0.01025"
                           yFract="-0.00121445"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13308"
                           xFract="0.2527346"
                           y3="-0.06376"
                           yFract="-0.0075545"
                           z3="8.78612"
                           zFract="0.39541494"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33539"
                           xFract="0.75063863"
                           y3="6.33944"
                           yFract="0.75111848"
                           z3="6.48193"
                           zFract="0.29171602"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13618"
                           xFract="0.2531019"
                           y3="6.36781"
                           yFract="0.75447986"
                           z3="6.45623"
                           zFract="0.29055941"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07134"
                           xFract="-0.00845261"
                           y3="2.08713"
                           yFract="0.24729028"
                           z3="8.7760"
                           zFract="0.3949595"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00222"
                           xFract="0.00026303"
                           y3="4.20349"
                           yFract="0.49804384"
                           z3="6.47009"
                           zFract="0.29118317"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21662"
                           xFract="0.49959953"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="4.34657"
                           zFract="0.19561521"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31822"
                           xFract="0.74860427"
                           y3="4.22507"
                           yFract="0.50060071"
                           z3="4.26665"
                           zFract="0.19201845"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12107"
                           xFract="0.25131161"
                           y3="-0.02953"
                           yFract="-0.00349882"
                           z3="4.27476"
                           zFract="0.19238344"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04498"
                           xFract="-0.00532938"
                           y3="2.14063"
                           yFract="0.25362915"
                           z3="4.27449"
                           zFract="0.19237129"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00468"
                           xFract="-0.0005545"
                           y3="6.33026"
                           yFract="0.75003081"
                           z3="8.65663"
                           zFract="0.38958731"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07575"
                           xFract="0.24594194"
                           y3="2.09447"
                           yFract="0.24815995"
                           z3="6.25247"
                           zFract="0.28138929"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01617"
                           xFract="-0.00191588"
                           y3="6.30575"
                           yFract="0.74712678"
                           z3="4.33744"
                           zFract="0.19520432"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08428"
                           xFract="0.24695261"
                           y3="4.30141"
                           yFract="0.50964573"
                           z3="8.56956"
                           zFract="0.38566877"/>
                     <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="0.0142"
                           xFract="0.00168246"
                           y3="2.1151"
                           yFract="0.25060427"
                           z3="6.36663"
                           zFract="0.286527"/>
                     <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="2.11867"
                           xFract="0.25102725"
                           y3="0.05112"
                           yFract="0.00605687"
                           z3="6.38313"
                           zFract="0.28726958"/>
                     <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="-0.04057"
                           xFract="-0.00480687"
                           y3="-0.02211"
                           yFract="-0.00261967"
                           z3="4.3202"
                           zFract="0.19442844"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06174"
                           xFract="-0.00731517"
                           y3="0.03414"
                           yFract="0.00404502"
                           z3="8.58912"
                           zFract="0.38654905"/>
                     <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="2.15343"
                           xFract="0.25514573"
                           y3="2.14964"
                           yFract="0.25469668"
                           z3="4.1668"
                           zFract="0.18752475"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30712"
                           xFract="0.27335545"
                           y3="1.92597"
                           yFract="0.2281955"
                           z3="9.21828"
                           zFract="0.41486409"/>
                     <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="4.16143"
                           xFract="0.49306043"
                           y3="2.10136"
                           yFract="0.2489763"
                           z3="6.46216"
                           zFract="0.29082628"/>
                     <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="6.32005"
                           xFract="0.74882109"
                           y3="0.08717"
                           yFract="0.0103282"
                           z3="6.44838"
                           zFract="0.29020612"/>
                     <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="4.24789"
                           xFract="0.5033045"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="4.2271"
                           zFract="0.19023852"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32765"
                           xFract="0.51275474"
                           y3="-0.02673"
                           yFract="-0.00316706"
                           z3="8.57369"
                           zFract="0.38585464"/>
                     <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="6.28748"
                           xFract="0.74496209"
                           y3="2.07821"
                           yFract="0.24623341"
                           z3="4.40501"
                           zFract="0.19824527"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30398"
                           xFract="0.74691706"
                           y3="2.06039"
                           yFract="0.24412204"
                           z3="8.53597"
                           zFract="0.38415707"/>
                     <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="-0.12739"
                           xFract="-0.0150936"
                           y3="6.32992"
                           yFract="0.74999052"
                           z3="6.46762"
                           zFract="0.29107201"/>
                     <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="2.08589"
                           xFract="0.24714336"
                           y3="4.16435"
                           yFract="0.4934064"
                           z3="6.45409"
                           zFract="0.2904631"/>
                     <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="0.02944"
                           xFract="0.00348815"
                           y3="4.24243"
                           yFract="0.50265758"
                           z3="4.14337"
                           zFract="0.1864703"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0844"
                           xFract="0.0100"
                           y3="4.14231"
                           yFract="0.49079502"
                           z3="8.91869"
                           zFract="0.40138119"/>
                     <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="2.13468"
                           xFract="0.25292417"
                           y3="6.31268"
                           yFract="0.74794787"
                           z3="4.3364"
                           zFract="0.19515752"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11279"
                           xFract="0.25033057"
                           y3="6.40828"
                           yFract="0.75927488"
                           z3="8.62873"
                           zFract="0.38833168"/>
                     <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="4.36429"
                           xFract="0.51709597"
                           y3="6.32617"
                           yFract="0.74954621"
                           z3="6.56564"
                           zFract="0.29548335"/>
                     <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="6.36388"
                           xFract="0.75401422"
                           y3="4.1218"
                           yFract="0.48836493"
                           z3="6.50261"
                           zFract="0.29264671"/>
                     <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="4.1955"
                           xFract="0.49709716"
                           y3="4.20585"
                           yFract="0.49832346"
                           z3="4.40902"
                           zFract="0.19842574"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20855"
                           xFract="0.49864336"
                           y3="4.20087"
                           yFract="0.49773341"
                           z3="8.59323"
                           zFract="0.38673402"/>
                     <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="6.29167"
                           xFract="0.74545853"
                           y3="6.35265"
                           yFract="0.75268365"
                           z3="4.06385"
                           zFract="0.18289154"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36626"
                           xFract="0.75429621"
                           y3="6.34979"
                           yFract="0.75234479"
                           z3="8.83977"
                           zFract="0.39782943"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.81">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18186"
                           xFract="0.25851422"
                           y3="2.0286"
                           yFract="0.24035545"
                           z3="10.18225"
                           zFract="0.45824707"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34515"
                           xFract="0.75179502"
                           y3="2.0871"
                           yFract="0.24728673"
                           z3="6.46518"
                           zFract="0.2909622"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35855"
                           xFract="0.7533827"
                           y3="-0.0397"
                           yFract="-0.00470379"
                           z3="8.55055"
                           zFract="0.38481323"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2084"
                           xFract="0.49862559"
                           y3="-0.02143"
                           yFract="-0.0025391"
                           z3="6.47169"
                           zFract="0.29125518"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02659"
                           xFract="0.00315047"
                           y3="0.02245"
                           yFract="0.00265995"
                           z3="6.48957"
                           zFract="0.29205986"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28487"
                           xFract="0.50768602"
                           y3="2.05983"
                           yFract="0.24405569"
                           z3="8.51199"
                           zFract="0.38307786"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27134"
                           xFract="0.50608294"
                           y3="6.34838"
                           yFract="0.75217773"
                           z3="8.58737"
                           zFract="0.3864703"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23049"
                           xFract="0.50124289"
                           y3="4.23684"
                           yFract="0.50199526"
                           z3="6.46095"
                           zFract="0.29077183"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11906"
                           xFract="0.25107346"
                           y3="4.26118"
                           yFract="0.50487915"
                           z3="4.24958"
                           zFract="0.19125023"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24234"
                           xFract="0.50264692"
                           y3="2.11454"
                           yFract="0.25053791"
                           z3="4.27653"
                           zFract="0.1924631"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43363"
                           xFract="0.76227844"
                           y3="4.20898"
                           yFract="0.49869431"
                           z3="8.56767"
                           zFract="0.38558371"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31125"
                           xFract="0.74777844"
                           y3="-0.01013"
                           yFract="-0.00120024"
                           z3="4.24865"
                           zFract="0.19120837"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13335"
                           xFract="0.25276659"
                           y3="-0.06363"
                           yFract="-0.0075391"
                           z3="8.78737"
                           zFract="0.3954712"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33505"
                           xFract="0.75059834"
                           y3="6.33918"
                           yFract="0.75108768"
                           z3="6.48289"
                           zFract="0.29175923"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13613"
                           xFract="0.25309597"
                           y3="6.36812"
                           yFract="0.75451659"
                           z3="6.45813"
                           zFract="0.29064491"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.07029"
                           xFract="-0.0083282"
                           y3="2.08738"
                           yFract="0.24731991"
                           z3="8.77759"
                           zFract="0.39503105"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00258"
                           xFract="0.00030569"
                           y3="4.20298"
                           yFract="0.49798341"
                           z3="6.47109"
                           zFract="0.29122817"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2160"
                           xFract="0.49952607"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="4.3468"
                           zFract="0.19562556"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31788"
                           xFract="0.74856398"
                           y3="4.2243"
                           yFract="0.50050948"
                           z3="4.26666"
                           zFract="0.1920189"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12168"
                           xFract="0.25138389"
                           y3="-0.02997"
                           yFract="-0.00355095"
                           z3="4.27498"
                           zFract="0.19239334"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04516"
                           xFract="-0.00535071"
                           y3="2.1402"
                           yFract="0.2535782"
                           z3="4.27527"
                           zFract="0.19240639"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.0038"
                           xFract="-0.00045024"
                           y3="6.33056"
                           yFract="0.75006635"
                           z3="8.65738"
                           zFract="0.38962106"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07601"
                           xFract="0.24597275"
                           y3="2.09418"
                           yFract="0.24812559"
                           z3="6.25323"
                           zFract="0.28142349"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01521"
                           xFract="-0.00180213"
                           y3="6.3056"
                           yFract="0.747109"
                           z3="4.33769"
                           zFract="0.19521557"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08356"
                           xFract="0.2468673"
                           y3="4.30053"
                           yFract="0.50954147"
                           z3="8.57074"
                           zFract="0.38572187"/>
                     <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="0.01483"
                           xFract="0.00175711"
                           y3="2.11388"
                           yFract="0.25045972"
                           z3="6.36755"
                           zFract="0.28656841"/>
                     <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="2.11857"
                           xFract="0.2510154"
                           y3="0.04985"
                           yFract="0.0059064"
                           z3="6.38409"
                           zFract="0.28731278"/>
                     <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="-0.04092"
                           xFract="-0.00484834"
                           y3="-0.02254"
                           yFract="-0.00267062"
                           z3="4.32088"
                           zFract="0.19445905"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06131"
                           xFract="-0.00726422"
                           y3="0.03345"
                           yFract="0.00396327"
                           z3="8.5902"
                           zFract="0.38659766"/>
                     <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="2.15251"
                           xFract="0.25503673"
                           y3="2.14972"
                           yFract="0.25470616"
                           z3="4.1670"
                           zFract="0.18753375"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30617"
                           xFract="0.27324289"
                           y3="1.92402"
                           yFract="0.22796445"
                           z3="9.21853"
                           zFract="0.41487534"/>
                     <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="4.16157"
                           xFract="0.49307701"
                           y3="2.10076"
                           yFract="0.24890521"
                           z3="6.46357"
                           zFract="0.29088974"/>
                     <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="6.3199"
                           xFract="0.74880332"
                           y3="0.08658"
                           yFract="0.01025829"
                           z3="6.4508"
                           zFract="0.29031503"/>
                     <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="4.24765"
                           xFract="0.50327607"
                           y3="0.01139"
                           yFract="0.00134953"
                           z3="4.22777"
                           zFract="0.19026868"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32816"
                           xFract="0.51281517"
                           y3="-0.0274"
                           yFract="-0.00324645"
                           z3="8.57539"
                           zFract="0.38593114"/>
                     <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="6.28788"
                           xFract="0.74500948"
                           y3="2.07763"
                           yFract="0.24616469"
                           z3="4.40591"
                           zFract="0.19828578"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30334"
                           xFract="0.74684123"
                           y3="2.06004"
                           yFract="0.24408057"
                           z3="8.53758"
                           zFract="0.38422952"/>
                     <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="-0.12774"
                           xFract="-0.01513507"
                           y3="6.32993"
                           yFract="0.74999171"
                           z3="6.46988"
                           zFract="0.29117372"/>
                     <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="2.08654"
                           xFract="0.24722038"
                           y3="4.16585"
                           yFract="0.49358412"
                           z3="6.45588"
                           zFract="0.29054365"/>
                     <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="4.24258"
                           yFract="0.50267536"
                           z3="4.14391"
                           zFract="0.1864946"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08432"
                           xFract="0.00999052"
                           y3="4.14011"
                           yFract="0.49053436"
                           z3="8.9203"
                           zFract="0.40145365"/>
                     <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="2.1358"
                           xFract="0.25305687"
                           y3="6.3123"
                           yFract="0.74790284"
                           z3="4.33811"
                           zFract="0.19523447"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11198"
                           xFract="0.2502346"
                           y3="6.40845"
                           yFract="0.75929502"
                           z3="8.63077"
                           zFract="0.38842349"/>
                     <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="4.36514"
                           xFract="0.51719668"
                           y3="6.32589"
                           yFract="0.74951303"
                           z3="6.5675"
                           zFract="0.29556706"/>
                     <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="6.36456"
                           xFract="0.75409479"
                           y3="4.12237"
                           yFract="0.48843246"
                           z3="6.50493"
                           zFract="0.29275113"/>
                     <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="4.1961"
                           xFract="0.49716825"
                           y3="4.20448"
                           yFract="0.49816114"
                           z3="4.41056"
                           zFract="0.19849505"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20881"
                           xFract="0.49867417"
                           y3="4.20032"
                           yFract="0.49766825"
                           z3="8.59415"
                           zFract="0.38677543"/>
                     <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="6.29129"
                           xFract="0.74541351"
                           y3="6.35261"
                           yFract="0.75267891"
                           z3="4.0648"
                           zFract="0.18293429"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36692"
                           xFract="0.75437441"
                           y3="6.34864"
                           yFract="0.75220853"
                           z3="8.84182"
                           zFract="0.39792169"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.82">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18215"
                           xFract="0.25854858"
                           y3="2.02846"
                           yFract="0.24033886"
                           z3="10.18352"
                           zFract="0.45830423"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34552"
                           xFract="0.75183886"
                           y3="2.08697"
                           yFract="0.24727133"
                           z3="6.46572"
                           zFract="0.2909865"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35892"
                           xFract="0.75342654"
                           y3="-0.03967"
                           yFract="-0.00470024"
                           z3="8.5512"
                           zFract="0.38484248"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20861"
                           xFract="0.49865047"
                           y3="-0.02133"
                           yFract="-0.00252725"
                           z3="6.47197"
                           zFract="0.29126778"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02653"
                           xFract="0.00314336"
                           y3="0.02209"
                           yFract="0.0026173"
                           z3="6.48998"
                           zFract="0.29207831"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28495"
                           xFract="0.5076955"
                           y3="2.0596"
                           yFract="0.24402844"
                           z3="8.51254"
                           zFract="0.38310261"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2712"
                           xFract="0.50606635"
                           y3="6.34858"
                           yFract="0.75220142"
                           z3="8.58802"
                           zFract="0.38649955"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23068"
                           xFract="0.5012654"
                           y3="4.23675"
                           yFract="0.5019846"
                           z3="6.46138"
                           zFract="0.29079118"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11918"
                           xFract="0.25108768"
                           y3="4.26116"
                           yFract="0.50487678"
                           z3="4.24991"
                           zFract="0.19126508"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24237"
                           xFract="0.50265047"
                           y3="2.11446"
                           yFract="0.25052844"
                           z3="4.27688"
                           zFract="0.19247885"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.4337"
                           xFract="0.76228673"
                           y3="4.20919"
                           yFract="0.49871919"
                           z3="8.56819"
                           zFract="0.38560711"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31111"
                           xFract="0.74776185"
                           y3="-0.01009"
                           yFract="-0.0011955"
                           z3="4.24902"
                           zFract="0.19122502"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13345"
                           xFract="0.25277844"
                           y3="-0.06358"
                           yFract="-0.00753318"
                           z3="8.78783"
                           zFract="0.3954919"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33493"
                           xFract="0.75058412"
                           y3="6.33909"
                           yFract="0.75107701"
                           z3="6.48323"
                           zFract="0.29177453"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13612"
                           xFract="0.25309479"
                           y3="6.36823"
                           yFract="0.75452962"
                           z3="6.45881"
                           zFract="0.29067552"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06992"
                           xFract="-0.00828436"
                           y3="2.08748"
                           yFract="0.24733175"
                           z3="8.77817"
                           zFract="0.39505716"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0027"
                           xFract="0.00031991"
                           y3="4.20279"
                           yFract="0.4979609"
                           z3="6.47145"
                           zFract="0.29124437"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21578"
                           xFract="0.4995"
                           y3="6.33138"
                           yFract="0.75016351"
                           z3="4.34688"
                           zFract="0.19562916"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31776"
                           xFract="0.74854976"
                           y3="4.22402"
                           yFract="0.5004763"
                           z3="4.26666"
                           zFract="0.1920189"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1219"
                           xFract="0.25140995"
                           y3="-0.03013"
                           yFract="-0.00356991"
                           z3="4.27505"
                           zFract="0.19239649"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04522"
                           xFract="-0.00535782"
                           y3="2.14004"
                           yFract="0.25355924"
                           z3="4.27555"
                           zFract="0.19241899"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00348"
                           xFract="-0.00041232"
                           y3="6.33067"
                           yFract="0.75007938"
                           z3="8.65765"
                           zFract="0.38963321"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07611"
                           xFract="0.2459846"
                           y3="2.09408"
                           yFract="0.24811374"
                           z3="6.25351"
                           zFract="0.28143609"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01487"
                           xFract="-0.00176185"
                           y3="6.30554"
                           yFract="0.7471019"
                           z3="4.33778"
                           zFract="0.19521962"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.0833"
                           xFract="0.24683649"
                           y3="4.30022"
                           yFract="0.50950474"
                           z3="8.57117"
                           zFract="0.38574122"/>
                     <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="0.01505"
                           xFract="0.00178318"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="6.36789"
                           zFract="0.28658371"/>
                     <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="2.11853"
                           xFract="0.25101066"
                           y3="0.04939"
                           yFract="0.0058519"
                           z3="6.38443"
                           zFract="0.28732808"/>
                     <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="-0.04105"
                           xFract="-0.00486374"
                           y3="-0.0227"
                           yFract="-0.00268957"
                           z3="4.32112"
                           zFract="0.19446985"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06115"
                           xFract="-0.00724526"
                           y3="0.03319"
                           yFract="0.00393246"
                           z3="8.59058"
                           zFract="0.38661476"/>
                     <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="2.15218"
                           xFract="0.25499763"
                           y3="2.14975"
                           yFract="0.25470972"
                           z3="4.16707"
                           zFract="0.1875369"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30582"
                           xFract="0.27320142"
                           y3="1.92332"
                           yFract="0.22788152"
                           z3="9.21862"
                           zFract="0.41487939"/>
                     <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="4.16162"
                           xFract="0.49308294"
                           y3="2.10055"
                           yFract="0.24888033"
                           z3="6.46407"
                           zFract="0.29091224"/>
                     <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="6.31984"
                           xFract="0.74879621"
                           y3="0.08637"
                           yFract="0.01023341"
                           z3="6.45167"
                           zFract="0.29035419"/>
                     <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="4.24756"
                           xFract="0.5032654"
                           y3="0.01198"
                           yFract="0.00141943"
                           z3="4.22801"
                           zFract="0.19027948"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32834"
                           xFract="0.51283649"
                           y3="-0.02764"
                           yFract="-0.00327488"
                           z3="8.5760"
                           zFract="0.3859586"/>
                     <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="6.28803"
                           xFract="0.74502725"
                           y3="2.07742"
                           yFract="0.24613981"
                           z3="4.40624"
                           zFract="0.19830063"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30311"
                           xFract="0.74681398"
                           y3="2.05991"
                           yFract="0.24406517"
                           z3="8.53816"
                           zFract="0.38425563"/>
                     <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="-0.12786"
                           xFract="-0.01514929"
                           y3="6.32993"
                           yFract="0.74999171"
                           z3="6.47069"
                           zFract="0.29121017"/>
                     <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="2.08678"
                           xFract="0.24724882"
                           y3="4.16639"
                           yFract="0.4936481"
                           z3="6.45653"
                           zFract="0.29057291"/>
                     <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="0.02924"
                           xFract="0.00346445"
                           y3="4.24264"
                           yFract="0.50268246"
                           z3="4.14411"
                           zFract="0.1865036"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08429"
                           xFract="0.00998697"
                           y3="4.13932"
                           yFract="0.49044076"
                           z3="8.92088"
                           zFract="0.40147975"/>
                     <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="2.1362"
                           xFract="0.25310427"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="4.33873"
                           zFract="0.19526238"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11169"
                           xFract="0.25020024"
                           y3="6.40852"
                           yFract="0.75930332"
                           z3="8.6315"
                           zFract="0.38845635"/>
                     <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="4.36545"
                           xFract="0.51723341"
                           y3="6.32578"
                           yFract="0.7495"
                           z3="6.56818"
                           zFract="0.29559766"/>
                     <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="6.3648"
                           xFract="0.75412322"
                           y3="4.12258"
                           yFract="0.48845735"
                           z3="6.50577"
                           zFract="0.29278893"/>
                     <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="4.19632"
                           xFract="0.49719431"
                           y3="4.20399"
                           yFract="0.49810308"
                           z3="4.41111"
                           zFract="0.1985198"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2089"
                           xFract="0.49868483"
                           y3="4.20012"
                           yFract="0.49764455"
                           z3="8.59448"
                           zFract="0.38679028"/>
                     <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="6.29116"
                           xFract="0.7453981"
                           y3="6.3526"
                           yFract="0.75267773"
                           z3="4.06514"
                           zFract="0.18294959"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36716"
                           xFract="0.75440284"
                           y3="6.34822"
                           yFract="0.75215877"
                           z3="8.84255"
                           zFract="0.39795455"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.83">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18281"
                           xFract="0.25862678"
                           y3="2.02803"
                           yFract="0.24028791"
                           z3="10.18398"
                           zFract="0.45832493"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3460"
                           xFract="0.75189573"
                           y3="2.08652"
                           yFract="0.24721801"
                           z3="6.46653"
                           zFract="0.29102295"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35918"
                           xFract="0.75345735"
                           y3="-0.0399"
                           yFract="-0.00472749"
                           z3="8.55217"
                           zFract="0.38488614"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.20909"
                           xFract="0.49870735"
                           y3="-0.02144"
                           yFract="-0.00254028"
                           z3="6.47265"
                           zFract="0.29129838"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02638"
                           xFract="0.00312559"
                           y3="0.02157"
                           yFract="0.00255569"
                           z3="6.4905"
                           zFract="0.29210171"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28468"
                           xFract="0.50766351"
                           y3="2.0592"
                           yFract="0.24398104"
                           z3="8.51359"
                           zFract="0.38314986"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27112"
                           xFract="0.50605687"
                           y3="6.34862"
                           yFract="0.75220616"
                           z3="8.5891"
                           zFract="0.38654815"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23099"
                           xFract="0.50130213"
                           y3="4.2367"
                           yFract="0.50197867"
                           z3="6.46236"
                           zFract="0.29083528"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11942"
                           xFract="0.25111611"
                           y3="4.26073"
                           yFract="0.50482583"
                           z3="4.25041"
                           zFract="0.19128758"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2422"
                           xFract="0.50263033"
                           y3="2.11449"
                           yFract="0.25053199"
                           z3="4.27739"
                           zFract="0.1925018"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43371"
                           xFract="0.76228791"
                           y3="4.20962"
                           yFract="0.49877014"
                           z3="8.56926"
                           zFract="0.38565527"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31107"
                           xFract="0.74775711"
                           y3="-0.01013"
                           yFract="-0.00120024"
                           z3="4.24965"
                           zFract="0.19125338"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1336"
                           xFract="0.25279621"
                           y3="-0.06332"
                           yFract="-0.00750237"
                           z3="8.78872"
                           zFract="0.39553195"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33459"
                           xFract="0.75054384"
                           y3="6.33894"
                           yFract="0.75105924"
                           z3="6.48388"
                           zFract="0.29180378"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13619"
                           xFract="0.25310308"
                           y3="6.36833"
                           yFract="0.75454147"
                           z3="6.45993"
                           zFract="0.29072592"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06925"
                           xFract="-0.00820498"
                           y3="2.08736"
                           yFract="0.24731754"
                           z3="8.7791"
                           zFract="0.39509901"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00291"
                           xFract="0.00034479"
                           y3="4.20254"
                           yFract="0.49793128"
                           z3="6.4720"
                           zFract="0.29126913"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21571"
                           xFract="0.49949171"
                           y3="6.33138"
                           yFract="0.75016351"
                           z3="4.34714"
                           zFract="0.19564086"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31751"
                           xFract="0.74852014"
                           y3="4.22369"
                           yFract="0.5004372"
                           z3="4.26672"
                           zFract="0.1920216"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1221"
                           xFract="0.25143365"
                           y3="-0.03012"
                           yFract="-0.00356872"
                           z3="4.27519"
                           zFract="0.19240279"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04513"
                           xFract="-0.00534716"
                           y3="2.13967"
                           yFract="0.2535154"
                           z3="4.27597"
                           zFract="0.19243789"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00331"
                           xFract="-0.00039218"
                           y3="6.33081"
                           yFract="0.75009597"
                           z3="8.65809"
                           zFract="0.38965302"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07624"
                           xFract="0.2460"
                           y3="2.09395"
                           yFract="0.24809834"
                           z3="6.25382"
                           zFract="0.28145005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.0145"
                           xFract="-0.00171801"
                           y3="6.30559"
                           yFract="0.74710782"
                           z3="4.33803"
                           zFract="0.19523087"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08312"
                           xFract="0.24681517"
                           y3="4.29968"
                           yFract="0.50944076"
                           z3="8.5718"
                           zFract="0.38576958"/>
                     <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="0.0155"
                           xFract="0.00183649"
                           y3="2.11283"
                           yFract="0.25033531"
                           z3="6.36855"
                           zFract="0.28661341"/>
                     <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="2.11856"
                           xFract="0.25101422"
                           y3="0.04868"
                           yFract="0.00576777"
                           z3="6.38494"
                           zFract="0.28735104"/>
                     <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="-0.04116"
                           xFract="-0.00487678"
                           y3="-0.02322"
                           yFract="-0.00275118"
                           z3="4.32144"
                           zFract="0.19448425"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.06086"
                           xFract="-0.0072109"
                           y3="0.03303"
                           yFract="0.00391351"
                           z3="8.59127"
                           zFract="0.38664581"/>
                     <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="2.15166"
                           xFract="0.25493602"
                           y3="2.14976"
                           yFract="0.2547109"
                           z3="4.16759"
                           zFract="0.18756031"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30525"
                           xFract="0.27313389"
                           y3="1.92244"
                           yFract="0.22777725"
                           z3="9.22016"
                           zFract="0.41494869"/>
                     <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="4.16159"
                           xFract="0.49307938"
                           y3="2.10019"
                           yFract="0.24883768"
                           z3="6.46486"
                           zFract="0.29094779"/>
                     <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="6.31975"
                           xFract="0.74878555"
                           y3="0.08614"
                           yFract="0.01020616"
                           z3="6.45304"
                           zFract="0.29041584"/>
                     <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="4.24732"
                           xFract="0.50323697"
                           y3="0.01277"
                           yFract="0.00151303"
                           z3="4.22841"
                           zFract="0.19029748"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32872"
                           xFract="0.51288152"
                           y3="-0.02767"
                           yFract="-0.00327844"
                           z3="8.57699"
                           zFract="0.38600315"/>
                     <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="6.28842"
                           xFract="0.74507346"
                           y3="2.07725"
                           yFract="0.24611967"
                           z3="4.40676"
                           zFract="0.19832403"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3031"
                           xFract="0.7468128"
                           y3="2.05971"
                           yFract="0.24404147"
                           z3="8.53908"
                           zFract="0.38429703"/>
                     <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="-0.12796"
                           xFract="-0.01516114"
                           y3="6.32985"
                           yFract="0.74998223"
                           z3="6.47177"
                           zFract="0.29125878"/>
                     <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="2.08708"
                           xFract="0.24728436"
                           y3="4.16713"
                           yFract="0.49373578"
                           z3="6.45745"
                           zFract="0.29061431"/>
                     <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="0.0291"
                           xFract="0.00344787"
                           y3="4.24281"
                           yFract="0.50270261"
                           z3="4.14442"
                           zFract="0.18651755"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08425"
                           xFract="0.00998223"
                           y3="4.13824"
                           yFract="0.4903128"
                           z3="8.92185"
                           zFract="0.4015234"/>
                     <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="2.13683"
                           xFract="0.25317891"
                           y3="6.31215"
                           yFract="0.74788507"
                           z3="4.33969"
                           zFract="0.19530558"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11129"
                           xFract="0.25015284"
                           y3="6.40831"
                           yFract="0.75927844"
                           z3="8.63267"
                           zFract="0.388509"/>
                     <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="4.36592"
                           xFract="0.5172891"
                           y3="6.32571"
                           yFract="0.74949171"
                           z3="6.56891"
                           zFract="0.29563051"/>
                     <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="6.36526"
                           xFract="0.75417773"
                           y3="4.12293"
                           yFract="0.48849882"
                           z3="6.50686"
                           zFract="0.29283798"/>
                     <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="4.19672"
                           xFract="0.49724171"
                           y3="4.20333"
                           yFract="0.49802488"
                           z3="4.41186"
                           zFract="0.19855356"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20876"
                           xFract="0.49866825"
                           y3="4.19978"
                           yFract="0.49760427"
                           z3="8.59513"
                           zFract="0.38681953"/>
                     <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="6.29082"
                           xFract="0.74535782"
                           y3="6.3525"
                           yFract="0.75266588"
                           z3="4.06544"
                           zFract="0.1829631"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36782"
                           xFract="0.75448104"
                           y3="6.34771"
                           yFract="0.75209834"
                           z3="8.84362"
                           zFract="0.3980027"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.84">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.1848"
                           xFract="0.25886256"
                           y3="2.02673"
                           yFract="0.24013389"
                           z3="10.18536"
                           zFract="0.45838704"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34743"
                           xFract="0.75206517"
                           y3="2.08514"
                           yFract="0.2470545"
                           z3="6.46895"
                           zFract="0.29113186"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.35998"
                           xFract="0.75355213"
                           y3="-0.0406"
                           yFract="-0.00481043"
                           z3="8.5551"
                           zFract="0.385018"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21054"
                           xFract="0.49887915"
                           y3="-0.02177"
                           yFract="-0.00257938"
                           z3="6.47471"
                           zFract="0.29139109"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02592"
                           xFract="0.00307109"
                           y3="0.0200"
                           yFract="0.00236967"
                           z3="6.49203"
                           zFract="0.29217057"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28385"
                           xFract="0.50756517"
                           y3="2.05799"
                           yFract="0.24383768"
                           z3="8.51674"
                           zFract="0.38329163"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2709"
                           xFract="0.50603081"
                           y3="6.34875"
                           yFract="0.75222156"
                           z3="8.59234"
                           zFract="0.38669397"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23192"
                           xFract="0.50141232"
                           y3="4.23656"
                           yFract="0.50196209"
                           z3="6.46532"
                           zFract="0.2909685"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12015"
                           xFract="0.25120261"
                           y3="4.25945"
                           yFract="0.50467417"
                           z3="4.2519"
                           zFract="0.19135464"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24166"
                           xFract="0.50256635"
                           y3="2.11457"
                           yFract="0.25054147"
                           z3="4.27892"
                           zFract="0.19257066"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43375"
                           xFract="0.76229265"
                           y3="4.21091"
                           yFract="0.49892299"
                           z3="8.57246"
                           zFract="0.38579928"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31096"
                           xFract="0.74774408"
                           y3="-0.01025"
                           yFract="-0.00121445"
                           z3="4.25155"
                           zFract="0.19133888"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13402"
                           xFract="0.25284597"
                           y3="-0.06252"
                           yFract="-0.00740758"
                           z3="8.7914"
                           zFract="0.39565257"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33358"
                           xFract="0.75042417"
                           y3="6.3385"
                           yFract="0.75100711"
                           z3="6.4858"
                           zFract="0.29189019"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13643"
                           xFract="0.25313152"
                           y3="6.36864"
                           yFract="0.7545782"
                           z3="6.46328"
                           zFract="0.29087669"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06726"
                           xFract="-0.00796919"
                           y3="2.08702"
                           yFract="0.24727725"
                           z3="8.78188"
                           zFract="0.39522412"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00353"
                           xFract="0.00041825"
                           y3="4.20177"
                           yFract="0.49784005"
                           z3="6.47363"
                           zFract="0.29134248"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.2155"
                           xFract="0.49946682"
                           y3="6.3314"
                           yFract="0.75016588"
                           z3="4.34791"
                           zFract="0.19567552"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31676"
                           xFract="0.74843128"
                           y3="4.22269"
                           yFract="0.50031872"
                           z3="4.26691"
                           zFract="0.19203015"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12271"
                           xFract="0.25150592"
                           y3="-0.03009"
                           yFract="-0.00356517"
                           z3="4.27561"
                           zFract="0.19242169"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04487"
                           xFract="-0.00531635"
                           y3="2.13857"
                           yFract="0.25338507"
                           z3="4.27724"
                           zFract="0.19249505"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00278"
                           xFract="-0.00032938"
                           y3="6.33121"
                           yFract="0.75014336"
                           z3="8.65941"
                           zFract="0.38971242"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07663"
                           xFract="0.24604621"
                           y3="2.09358"
                           yFract="0.2480545"
                           z3="6.25473"
                           zFract="0.281491"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01341"
                           xFract="-0.00158886"
                           y3="6.30571"
                           yFract="0.74712204"
                           z3="4.33876"
                           zFract="0.19526373"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08259"
                           xFract="0.24675237"
                           y3="4.29808"
                           yFract="0.50925118"
                           z3="8.57371"
                           zFract="0.38585554"/>
                     <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="0.01684"
                           xFract="0.00199526"
                           y3="2.11101"
                           yFract="0.25011967"
                           z3="6.37054"
                           zFract="0.28670297"/>
                     <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="2.11865"
                           xFract="0.25102488"
                           y3="0.04656"
                           yFract="0.00551659"
                           z3="6.38644"
                           zFract="0.28741854"/>
                     <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="-0.04148"
                           xFract="-0.00491469"
                           y3="-0.0248"
                           yFract="-0.00293839"
                           z3="4.32239"
                           zFract="0.194527"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05999"
                           xFract="-0.00710782"
                           y3="0.03254"
                           yFract="0.00385545"
                           z3="8.59333"
                           zFract="0.38673852"/>
                     <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="2.15009"
                           xFract="0.25475"
                           y3="2.1498"
                           yFract="0.25471564"
                           z3="4.16912"
                           zFract="0.18762916"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30354"
                           xFract="0.27293128"
                           y3="1.91978"
                           yFract="0.22746209"
                           z3="9.22477"
                           zFract="0.41515617"/>
                     <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="4.16151"
                           xFract="0.49306991"
                           y3="2.09911"
                           yFract="0.24870972"
                           z3="6.4672"
                           zFract="0.29105311"/>
                     <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="6.31945"
                           xFract="0.74875"
                           y3="0.08547"
                           yFract="0.01012678"
                           z3="6.45717"
                           zFract="0.29060171"/>
                     <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="4.24659"
                           xFract="0.50315047"
                           y3="0.01515"
                           yFract="0.00179502"
                           z3="4.22962"
                           zFract="0.19035194"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32984"
                           xFract="0.51301422"
                           y3="-0.02777"
                           yFract="-0.00329028"
                           z3="8.57998"
                           zFract="0.38613771"/>
                     <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="6.28959"
                           xFract="0.74521209"
                           y3="2.07674"
                           yFract="0.24605924"
                           z3="4.40832"
                           zFract="0.19839424"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30306"
                           xFract="0.74680806"
                           y3="2.0591"
                           yFract="0.24396919"
                           z3="8.54185"
                           zFract="0.38442169"/>
                     <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="-0.12825"
                           xFract="-0.0151955"
                           y3="6.32958"
                           yFract="0.74995024"
                           z3="6.47503"
                           zFract="0.29140549"/>
                     <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="2.08797"
                           xFract="0.24738981"
                           y3="4.16933"
                           yFract="0.49399645"
                           z3="6.46021"
                           zFract="0.29073852"/>
                     <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="0.02868"
                           xFract="0.0033981"
                           y3="4.24331"
                           yFract="0.50276185"
                           z3="4.14535"
                           zFract="0.18655941"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08414"
                           xFract="0.00996919"
                           y3="4.13499"
                           yFract="0.48992773"
                           z3="8.92475"
                           zFract="0.40165392"/>
                     <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="2.1387"
                           xFract="0.25340047"
                           y3="6.31211"
                           yFract="0.74788033"
                           z3="4.34257"
                           zFract="0.19543519"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11009"
                           xFract="0.25001066"
                           y3="6.40769"
                           yFract="0.75920498"
                           z3="8.63618"
                           zFract="0.38866697"/>
                     <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="4.36734"
                           xFract="0.51745735"
                           y3="6.32547"
                           yFract="0.74946327"
                           z3="6.57111"
                           zFract="0.29572952"/>
                     <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="6.36663"
                           xFract="0.75434005"
                           y3="4.12399"
                           yFract="0.48862441"
                           z3="6.51013"
                           zFract="0.29298515"/>
                     <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="4.19791"
                           xFract="0.4973827"
                           y3="4.20135"
                           yFract="0.49779028"
                           z3="4.41412"
                           zFract="0.19865527"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20833"
                           xFract="0.4986173"
                           y3="4.19876"
                           yFract="0.49748341"
                           z3="8.59705"
                           zFract="0.38690594"/>
                     <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="6.28982"
                           xFract="0.74523934"
                           y3="6.35223"
                           yFract="0.75263389"
                           z3="4.06635"
                           zFract="0.18300405"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36981"
                           xFract="0.75471682"
                           y3="6.34616"
                           yFract="0.75191469"
                           z3="8.84684"
                           zFract="0.39814761"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.85">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18522"
                           xFract="0.25891232"
                           y3="2.02646"
                           yFract="0.2401019"
                           z3="10.18566"
                           zFract="0.45840054"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34774"
                           xFract="0.7521019"
                           y3="2.08485"
                           yFract="0.24702014"
                           z3="6.46947"
                           zFract="0.29115527"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.36015"
                           xFract="0.75357227"
                           y3="-0.04075"
                           yFract="-0.0048282"
                           z3="8.55572"
                           zFract="0.3850459"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21085"
                           xFract="0.49891588"
                           y3="-0.02185"
                           yFract="-0.00258886"
                           z3="6.47515"
                           zFract="0.29141089"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02582"
                           xFract="0.00305924"
                           y3="0.01966"
                           yFract="0.00232938"
                           z3="6.49236"
                           zFract="0.29218542"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28367"
                           xFract="0.50754384"
                           y3="2.05774"
                           yFract="0.24380806"
                           z3="8.51741"
                           zFract="0.38332178"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.27085"
                           xFract="0.50602488"
                           y3="6.34878"
                           yFract="0.75222512"
                           z3="8.59304"
                           zFract="0.38672547"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23212"
                           xFract="0.50143602"
                           y3="4.23653"
                           yFract="0.50195853"
                           z3="6.46595"
                           zFract="0.29099685"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1203"
                           xFract="0.25122038"
                           y3="4.25917"
                           yFract="0.504641"
                           z3="4.25222"
                           zFract="0.19136904"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24154"
                           xFract="0.50255213"
                           y3="2.11459"
                           yFract="0.25054384"
                           z3="4.27925"
                           zFract="0.19258551"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43376"
                           xFract="0.76229384"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="8.57315"
                           zFract="0.38583033"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31094"
                           xFract="0.74774171"
                           y3="-0.01027"
                           yFract="-0.00121682"
                           z3="4.25196"
                           zFract="0.19135734"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13412"
                           xFract="0.25285782"
                           y3="-0.06235"
                           yFract="-0.00738744"
                           z3="8.79198"
                           zFract="0.39567867"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33337"
                           xFract="0.75039929"
                           y3="6.33841"
                           yFract="0.75099645"
                           z3="6.48622"
                           zFract="0.29190909"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13647"
                           xFract="0.25313626"
                           y3="6.36871"
                           yFract="0.75458649"
                           z3="6.4640"
                           zFract="0.29090909"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06683"
                           xFract="-0.00791825"
                           y3="2.08694"
                           yFract="0.24726777"
                           z3="8.78248"
                           zFract="0.39525113"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00366"
                           xFract="0.00043365"
                           y3="4.2016"
                           yFract="0.49781991"
                           z3="6.47398"
                           zFract="0.29135824"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21545"
                           xFract="0.4994609"
                           y3="6.3314"
                           yFract="0.75016588"
                           z3="4.34807"
                           zFract="0.19568272"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.3166"
                           xFract="0.74841232"
                           y3="4.22248"
                           yFract="0.50029384"
                           z3="4.26695"
                           zFract="0.19203195"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12284"
                           xFract="0.25152133"
                           y3="-0.03008"
                           yFract="-0.00356398"
                           z3="4.2757"
                           zFract="0.19242574"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04481"
                           xFract="-0.00530924"
                           y3="2.13834"
                           yFract="0.25335782"
                           z3="4.27751"
                           zFract="0.1925072"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00266"
                           xFract="-0.00031517"
                           y3="6.3313"
                           yFract="0.75015403"
                           z3="8.65969"
                           zFract="0.38972502"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07671"
                           xFract="0.24605569"
                           y3="2.0935"
                           yFract="0.24804502"
                           z3="6.25492"
                           zFract="0.28149955"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01317"
                           xFract="-0.00156043"
                           y3="6.30573"
                           yFract="0.74712441"
                           z3="4.33892"
                           zFract="0.19527093"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08248"
                           xFract="0.24673934"
                           y3="4.29774"
                           yFract="0.5092109"
                           z3="8.57412"
                           zFract="0.38587399"/>
                     <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="0.01713"
                           xFract="0.00202962"
                           y3="2.11062"
                           yFract="0.25007346"
                           z3="6.37097"
                           zFract="0.28672232"/>
                     <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="2.11867"
                           xFract="0.25102725"
                           y3="0.04611"
                           yFract="0.00546327"
                           z3="6.38676"
                           zFract="0.28743294"/>
                     <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="-0.04155"
                           xFract="-0.00492299"
                           y3="-0.02514"
                           yFract="-0.00297867"
                           z3="4.3226"
                           zFract="0.19453645"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05981"
                           xFract="-0.00708649"
                           y3="0.03244"
                           yFract="0.0038436"
                           z3="8.59377"
                           zFract="0.38675833"/>
                     <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="2.14976"
                           xFract="0.2547109"
                           y3="2.1498"
                           yFract="0.25471564"
                           z3="4.16945"
                           zFract="0.18764401"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30317"
                           xFract="0.27288744"
                           y3="1.91922"
                           yFract="0.22739573"
                           z3="9.22575"
                           zFract="0.41520027"/>
                     <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="4.1615"
                           xFract="0.49306872"
                           y3="2.09888"
                           yFract="0.24868246"
                           z3="6.4677"
                           zFract="0.29107561"/>
                     <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="6.31939"
                           xFract="0.74874289"
                           y3="0.08533"
                           yFract="0.01011019"
                           z3="6.45805"
                           zFract="0.29064131"/>
                     <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="4.24643"
                           xFract="0.50313152"
                           y3="0.01566"
                           yFract="0.00185545"
                           z3="4.22988"
                           zFract="0.19036364"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33008"
                           xFract="0.51304265"
                           y3="-0.02779"
                           yFract="-0.00329265"
                           z3="8.58062"
                           zFract="0.38616652"/>
                     <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="6.28984"
                           xFract="0.74524171"
                           y3="2.07663"
                           yFract="0.24604621"
                           z3="4.40866"
                           zFract="0.19840954"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.30305"
                           xFract="0.74680687"
                           y3="2.05897"
                           yFract="0.24395379"
                           z3="8.54244"
                           zFract="0.38444824"/>
                     <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="-0.12831"
                           xFract="-0.01520261"
                           y3="6.32952"
                           yFract="0.74994313"
                           z3="6.47573"
                           zFract="0.29143699"/>
                     <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="2.08816"
                           xFract="0.24741232"
                           y3="4.16981"
                           yFract="0.49405332"
                           z3="6.4608"
                           zFract="0.29076508"/>
                     <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="0.02859"
                           xFract="0.00338744"
                           y3="4.24342"
                           yFract="0.50277488"
                           z3="4.14555"
                           zFract="0.18656841"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08412"
                           xFract="0.00996682"
                           y3="4.13429"
                           yFract="0.48984479"
                           z3="8.92536"
                           zFract="0.40168137"/>
                     <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="2.1391"
                           xFract="0.25344787"
                           y3="6.3121"
                           yFract="0.74787915"
                           z3="4.34319"
                           zFract="0.1954631"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10984"
                           xFract="0.24998104"
                           y3="6.40756"
                           yFract="0.75918957"
                           z3="8.63693"
                           zFract="0.38870072"/>
                     <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="4.36765"
                           xFract="0.51749408"
                           y3="6.32542"
                           yFract="0.74945735"
                           z3="6.57158"
                           zFract="0.29575068"/>
                     <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="6.36692"
                           xFract="0.75437441"
                           y3="4.12422"
                           yFract="0.48865166"
                           z3="6.51083"
                           zFract="0.29301665"/>
                     <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="4.19816"
                           xFract="0.49741232"
                           y3="4.20092"
                           yFract="0.49773934"
                           z3="4.4146"
                           zFract="0.19867687"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20824"
                           xFract="0.49860664"
                           y3="4.19855"
                           yFract="0.49745853"
                           z3="8.59746"
                           zFract="0.38692439"/>
                     <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="6.2896"
                           xFract="0.74521327"
                           y3="6.35217"
                           yFract="0.75262678"
                           z3="4.06654"
                           zFract="0.1830126"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37023"
                           xFract="0.75476659"
                           y3="6.34583"
                           yFract="0.75187559"
                           z3="8.84752"
                           zFract="0.39817822"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.86">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="2.18605"
                           xFract="0.25901066"
                           y3="2.02581"
                           yFract="0.24002488"
                           z3="10.18847"
                           zFract="0.458527"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.34827"
                           xFract="0.75216469"
                           y3="2.08423"
                           yFract="0.24694668"
                           z3="6.47094"
                           zFract="0.29122142"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.36022"
                           xFract="0.75358057"
                           y3="-0.04142"
                           yFract="-0.00490758"
                           z3="8.55744"
                           zFract="0.38512331"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.21156"
                           xFract="0.4990"
                           y3="-0.02247"
                           yFract="-0.00266232"
                           z3="6.4767"
                           zFract="0.29148065"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a10"
                           x3="0.02567"
                           xFract="0.00304147"
                           y3="0.01891"
                           yFract="0.00224052"
                           z3="6.49314"
                           zFract="0.29222052"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.28283"
                           xFract="0.50744431"
                           y3="2.05709"
                           yFract="0.24373104"
                           z3="8.51932"
                           zFract="0.38340774"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2710"
                           xFract="0.50604265"
                           y3="6.3484"
                           yFract="0.75218009"
                           z3="8.59489"
                           zFract="0.38680873"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.23274"
                           xFract="0.50150948"
                           y3="4.23646"
                           yFract="0.50195024"
                           z3="6.46796"
                           zFract="0.29108731"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12072"
                           xFract="0.25127014"
                           y3="4.25826"
                           yFract="0.50453318"
                           z3="4.25298"
                           zFract="0.19140324"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.24119"
                           xFract="0.50251066"
                           y3="2.11481"
                           yFract="0.25056991"
                           z3="4.28004"
                           zFract="0.19262106"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.43374"
                           xFract="0.76229147"
                           y3="4.21168"
                           yFract="0.49901422"
                           z3="8.57534"
                           zFract="0.38592889"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.31101"
                           xFract="0.74775"
                           y3="-0.01057"
                           yFract="-0.00125237"
                           z3="4.25291"
                           zFract="0.19140009"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.13421"
                           xFract="0.25286848"
                           y3="-0.06221"
                           yFract="-0.00737085"
                           z3="8.79375"
                           zFract="0.39575833"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="6.33318"
                           xFract="0.75037678"
                           y3="6.33804"
                           yFract="0.75095261"
                           z3="6.48744"
                           zFract="0.291964"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.13681"
                           xFract="0.25317654"
                           y3="6.36874"
                           yFract="0.75459005"
                           z3="6.46587"
                           zFract="0.29099325"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="-0.06585"
                           xFract="-0.00780213"
                           y3="2.08617"
                           yFract="0.24717654"
                           z3="8.78409"
                           zFract="0.39532358"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.00392"
                           xFract="0.00046445"
                           y3="4.20126"
                           yFract="0.49777962"
                           z3="6.47489"
                           zFract="0.29139919"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="4.21584"
                           xFract="0.49950711"
                           y3="6.33122"
                           yFract="0.75014455"
                           z3="4.34868"
                           zFract="0.19571017"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="6.31622"
                           xFract="0.7483673"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="4.26725"
                           zFract="0.19204545"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.12296"
                           xFract="0.25153555"
                           y3="-0.02983"
                           yFract="-0.00353436"
                           z3="4.27612"
                           zFract="0.19244464"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="-0.04449"
                           xFract="-0.00527133"
                           y3="2.13771"
                           yFract="0.25328318"
                           z3="4.27818"
                           zFract="0.19253735"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="-0.00278"
                           xFract="-0.00032938"
                           y3="6.33136"
                           yFract="0.75016114"
                           z3="8.66062"
                           zFract="0.38976688"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="2.07698"
                           xFract="0.24608768"
                           y3="2.09324"
                           yFract="0.24801422"
                           z3="6.25549"
                           zFract="0.2815252"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="-0.01292"
                           xFract="-0.00153081"
                           y3="6.30581"
                           yFract="0.74713389"
                           z3="4.33962"
                           zFract="0.19530243"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.08246"
                           xFract="0.24673697"
                           y3="4.29694"
                           yFract="0.50911611"
                           z3="8.57528"
                           zFract="0.38592619"/>
                     <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="0.01812"
                           xFract="0.00214692"
                           y3="2.10985"
                           yFract="0.24998223"
                           z3="6.37229"
                           zFract="0.28678173"/>
                     <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="2.11898"
                           xFract="0.25106398"
                           y3="0.04504"
                           yFract="0.00533649"
                           z3="6.3875"
                           zFract="0.28746625"/>
                     <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="-0.04152"
                           xFract="-0.00491943"
                           y3="-0.02643"
                           yFract="-0.00313152"
                           z3="4.32315"
                           zFract="0.19456121"/>
                     <atom elementType="O"
                           id="a48"
                           x3="-0.05936"
                           xFract="-0.00703318"
                           y3="0.03274"
                           yFract="0.00387915"
                           z3="8.5951"
                           zFract="0.38681818"/>
                     <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="2.14901"
                           xFract="0.25462204"
                           y3="2.14976"
                           yFract="0.2547109"
                           z3="4.17078"
                           zFract="0.18770387"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.30302"
                           xFract="0.27286967"
                           y3="1.91801"
                           yFract="0.22725237"
                           z3="9.22639"
                           zFract="0.41522907"/>
                     <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="4.16117"
                           xFract="0.49302962"
                           y3="2.09833"
                           yFract="0.2486173"
                           z3="6.46907"
                           zFract="0.29113726"/>
                     <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="6.31932"
                           xFract="0.7487346"
                           y3="0.08498"
                           yFract="0.01006872"
                           z3="6.46015"
                           zFract="0.29073582"/>
                     <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="4.24608"
                           xFract="0.50309005"
                           y3="0.01655"
                           yFract="0.0019609"
                           z3="4.23059"
                           zFract="0.19039559"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33073"
                           xFract="0.51311967"
                           y3="-0.02752"
                           yFract="-0.00326066"
                           z3="8.58246"
                           zFract="0.38624932"/>
                     <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="6.29066"
                           xFract="0.74533886"
                           y3="2.07653"
                           yFract="0.24603436"
                           z3="4.40969"
                           zFract="0.1984559"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3037"
                           xFract="0.74688389"
                           y3="2.05859"
                           yFract="0.24390877"
                           z3="8.54394"
                           zFract="0.38451575"/>
                     <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="-0.12855"
                           xFract="-0.01523104"
                           y3="6.32917"
                           yFract="0.74990166"
                           z3="6.47697"
                           zFract="0.2914928"/>
                     <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="2.08844"
                           xFract="0.2474455"
                           y3="4.1706"
                           yFract="0.49414692"
                           z3="6.46208"
                           zFract="0.29082268"/>
                     <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="0.02838"
                           xFract="0.00336256"
                           y3="4.24385"
                           yFract="0.50282583"
                           z3="4.14608"
                           zFract="0.18659226"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.08422"
                           xFract="0.00997867"
                           y3="4.13285"
                           yFract="0.48967417"
                           z3="8.92702"
                           zFract="0.40175608"/>
                     <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="2.14013"
                           xFract="0.25356991"
                           y3="6.31218"
                           yFract="0.74788863"
                           z3="4.34473"
                           zFract="0.1955324"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.10948"
                           xFract="0.24993839"
                           y3="6.40682"
                           yFract="0.7591019"
                           z3="8.63889"
                           zFract="0.38878893"/>
                     <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="4.36812"
                           xFract="0.51754976"
                           y3="6.32546"
                           yFract="0.74946209"
                           z3="6.57261"
                           zFract="0.29579703"/>
                     <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="6.36776"
                           xFract="0.75447393"
                           y3="4.12461"
                           yFract="0.48869787"
                           z3="6.51221"
                           zFract="0.29307876"/>
                     <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="4.1987"
                           xFract="0.4974763"
                           y3="4.20006"
                           yFract="0.49763744"
                           z3="4.41577"
                           zFract="0.19872952"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20752"
                           xFract="0.49852133"
                           y3="4.19797"
                           yFract="0.49738981"
                           z3="8.59898"
                           zFract="0.3869928"/>
                     <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="6.28874"
                           xFract="0.74511137"
                           y3="6.35198"
                           yFract="0.75260427"
                           z3="4.06669"
                           zFract="0.18301935"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37147"
                           xFract="0.75491351"
                           y3="6.34527"
                           yFract="0.75180924"
                           z3="8.84926"
                           zFract="0.39825653"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a51" order="S"/>
                     <bond atomRefs2="a2 a57" order="S"/>
                     <bond atomRefs2="a2 a56" order="S"/>
                     <bond atomRefs2="a2 a52" order="S"/>
                     <bond atomRefs2="a2 a54" order="S"/>
                     <bond atomRefs2="a2 a44" order="S"/>
                     <bond atomRefs2="a3 a80" order="S"/>
                     <bond atomRefs2="a3 a79" order="S"/>
                     <bond atomRefs2="a3 a74" order="S"/>
                     <bond atomRefs2="a3 a72" order="S"/>
                     <bond atomRefs2="a4 a75" order="S"/>
                     <bond atomRefs2="a4 a60" order="S"/>
                     <bond atomRefs2="a4 a61" order="S"/>
                     <bond atomRefs2="a4 a55" order="S"/>
                     <bond atomRefs2="a5 a61" order="S"/>
                     <bond atomRefs2="a5 a55" order="S"/>
                     <bond atomRefs2="a5 a58" order="S"/>
                     <bond atomRefs2="a6 a49" order="S"/>
                     <bond atomRefs2="a6 a44" order="S"/>
                     <bond atomRefs2="a6 a46" order="S"/>
                     <bond atomRefs2="a6 a56" order="S"/>
                     <bond atomRefs2="a7 a58" order="S"/>
                     <bond atomRefs2="a7 a53" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a62" order="S"/>
                     <bond atomRefs2="a8 a66" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a49" order="S"/>
                     <bond atomRefs2="a9 a42" order="S"/>
                     <bond atomRefs2="a9 a46" order="S"/>
                     <bond atomRefs2="a9 a66" order="S"/>
                     <bond atomRefs2="a10 a45" order="S"/>
                     <bond atomRefs2="a10 a39" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a47" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a11 a51" order="S"/>
                     <bond atomRefs2="a11 a53" order="S"/>
                     <bond atomRefs2="a11 a58" order="S"/>
                     <bond atomRefs2="a11 a61" order="S"/>
                     <bond atomRefs2="a11 a19" order="S"/>
                     <bond atomRefs2="a11 a14" order="S"/>
                     <bond atomRefs2="a11 a78" order="S"/>
                     <bond atomRefs2="a12 a81" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a73" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a78" order="S"/>
                     <bond atomRefs2="a12 a71" order="S"/>
                     <bond atomRefs2="a13 a72" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a79" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a14 a75" order="S"/>
                     <bond atomRefs2="a14 a78" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a19" order="S"/>
                     <bond atomRefs2="a14 a73" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a65" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a40" order="S"/>
                     <bond atomRefs2="a15 a67" order="S"/>
                     <bond atomRefs2="a15 a64" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a50" order="S"/>
                     <bond atomRefs2="a15 a39" order="S"/>
                     <bond atomRefs2="a15 a77" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a50" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a42" order="S"/>
                     <bond atomRefs2="a16 a64" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a66" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a42" order="S"/>
                     <bond atomRefs2="a18 a60" order="S"/>
                     <bond atomRefs2="a18 a53" order="S"/>
                     <bond atomRefs2="a18 a20" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a18 a52" order="S"/>
                     <bond atomRefs2="a18 a32" order="S"/>
                     <bond atomRefs2="a18 a77" order="S"/>
                     <bond atomRefs2="a18 a39" order="S"/>
                     <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a60" order="S"/>
                     <bond atomRefs2="a20 a55" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a76" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a25 a69" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a62" order="S"/>
                     <bond atomRefs2="a25 a72" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a72" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a52" order="S"/>
                     <bond atomRefs2="a26 a64" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a70" order="S"/>
                     <bond atomRefs2="a28 a68" order="S"/>
                     <bond atomRefs2="a28 a48" order="S"/>
                     <bond atomRefs2="a29 a63" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a43" order="S"/>
                     <bond atomRefs2="a30 a77" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a70" order="S"/>
                     <bond atomRefs2="a31 a59" order="S"/>
                     <bond atomRefs2="a31 a54" order="S"/>
                     <bond atomRefs2="a31 a52" order="S"/>
                     <bond atomRefs2="a31 a74" order="S"/>
                     <bond atomRefs2="a32 a75" order="S"/>
                     <bond atomRefs2="a32 a77" order="S"/>
                     <bond atomRefs2="a32 a80" order="S"/>
                     <bond atomRefs2="a32 a74" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a52" order="S"/>
                     <bond atomRefs2="a33 a56" order="S"/>
                     <bond atomRefs2="a33 a59" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a49" order="S"/>
                     <bond atomRefs2="a34 a44" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a34 a45" order="S"/>
                     <bond atomRefs2="a34 a47" order="S"/>
                     <bond atomRefs2="a34 a57" order="S"/>
                     <bond atomRefs2="a35 a69" order="S"/>
                     <bond atomRefs2="a35 a64" order="S"/>
                     <bond atomRefs2="a35 a66" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a47" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a50" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a46" order="S"/>
                     <bond atomRefs2="a37 a44" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a38 a68" order="S"/>
                     <bond atomRefs2="a38 a63" order="S"/>
                     <bond atomRefs2="a38 a71" order="S"/>
                     <bond atomRefs2="a39 a45" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a50" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a40 a63" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a67" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg12Ni8O40Zn10">
                     <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2690.733200000007</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="81">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="81">-0.000 0.001 -0.003 0.002 0.003 0.007 0.002 0.012 0.013 0.001 0.000 -0.000 0.002 0.002 -0.000 -0.000 -0.001 0.001 0.002 0.000 0.001 0.005 0.001 0.002 -0.005 0.004 -0.000 0.001 0.002 -0.002 -0.002 -0.000 0.007 0.000 0.003 0.001 0.001 0.001 0.007 0.001 -0.001 0.008 0.002 0.012 0.007 0.013 0.001 0.003 0.007 0.001 -0.001 0.003 0.008 0.003 0.011 0.008 0.011 0.005 0.001 0.002 0.008 0.004 -0.003 0.000 -0.001 0.006 0.001 0.001 0.009 0.003 -0.000 -0.001 0.005 -0.003 -0.001 -0.002 0.002 0.000 0.000 0.000 0.003</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">-0.000 -0.002 0.002 -0.003 0.005 0.007 0.002 0.015 0.015 0.001 0.001 0.000 0.003 0.001 -0.000 0.002 -0.002 0.002 0.001 0.001 -0.000 0.003 0.002 0.003 -0.006 0.005 -0.001 0.001 0.002 -0.002 -0.002 -0.000 0.007 0.001 0.001 0.003 0.003 0.002 0.009 0.006 -0.002 0.124 0.009 0.186 0.083 0.138 0.024 0.007 0.073 0.021 -0.005 0.002 0.098 0.065 0.148 0.100 0.128 0.063 -0.009 0.043 0.116 0.115 -0.061 0.006 -0.029 0.036 0.016 0.024 0.120 0.143 0.001 -0.019 0.043 -0.029 -0.068 -0.075 0.033 -0.001 -0.018 0.061 0.058</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.266 -0.626 1.100 1.098 1.403 1.508 1.482 1.476 0.000 0.000 -0.000 0.001 -0.000 -0.000 0.001 -0.001 0.001 0.000 0.000 -0.001 -0.308 -0.163 -0.497 0.417 -0.468 0.257 0.337 -0.488 0.516 0.238 0.000 0.006 0.008 -0.009 0.010 0.009 0.004 0.010 0.016 -0.003 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">-0.000 1.265 -0.627 1.099 1.106 1.416 1.511 1.509 1.503 0.001 0.001 -0.000 0.006 0.002 -0.001 0.003 -0.003 0.003 0.003 0.001 -0.000 -0.301 -0.160 -0.492 0.406 -0.459 0.256 0.339 -0.485 0.511 0.233 -0.000 0.020 0.009 -0.005 0.014 0.014 0.007 0.026 0.023 -0.006 0.132 0.012 0.197 0.090 0.150 0.025 0.010 0.081 0.022 -0.006 0.005 0.106 0.068 0.159 0.108 0.139 0.068 -0.008 0.046 0.124 0.118 -0.064 0.007 -0.031 0.043 0.017 0.025 0.129 0.146 0.001 -0.019 0.047 -0.031 -0.069 -0.077 0.036 -0.001 -0.018 0.061 0.062</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.206</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">1.856</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">8.600</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">10.662</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.90413406</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.89461244</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-426.89937325</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.6185</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5683113E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.18605"
                        xFract="0.25901066"
                        y3="2.02581"
                        yFract="0.24002488"
                        z3="10.18847"
                        zFract="0.458527"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.34827"
                        xFract="0.75216469"
                        y3="2.08423"
                        yFract="0.24694668"
                        z3="6.47094"
                        zFract="0.29122142"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.36022"
                        xFract="0.75358057"
                        y3="-0.04142"
                        yFract="-0.00490758"
                        z3="8.55744"
                        zFract="0.38512331"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.21156"
                        xFract="0.4990"
                        y3="-0.02247"
                        yFract="-0.00266232"
                        z3="6.4767"
                        zFract="0.29148065"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a10"
                        x3="0.02567"
                        xFract="0.00304147"
                        y3="0.01891"
                        yFract="0.00224052"
                        z3="6.49314"
                        zFract="0.29222052"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.28283"
                        xFract="0.50744431"
                        y3="2.05709"
                        yFract="0.24373104"
                        z3="8.51932"
                        zFract="0.38340774"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2710"
                        xFract="0.50604265"
                        y3="6.3484"
                        yFract="0.75218009"
                        z3="8.59489"
                        zFract="0.38680873"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.23274"
                        xFract="0.50150948"
                        y3="4.23646"
                        yFract="0.50195024"
                        z3="6.46796"
                        zFract="0.29108731"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.12072"
                        xFract="0.25127014"
                        y3="4.25826"
                        yFract="0.50453318"
                        z3="4.25298"
                        zFract="0.19140324"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.24119"
                        xFract="0.50251066"
                        y3="2.11481"
                        yFract="0.25056991"
                        z3="4.28004"
                        zFract="0.19262106"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.43374"
                        xFract="0.76229147"
                        y3="4.21168"
                        yFract="0.49901422"
                        z3="8.57534"
                        zFract="0.38592889"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="6.31101"
                        xFract="0.74775"
                        y3="-0.01057"
                        yFract="-0.00125237"
                        z3="4.25291"
                        zFract="0.19140009"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.13421"
                        xFract="0.25286848"
                        y3="-0.06221"
                        yFract="-0.00737085"
                        z3="8.79375"
                        zFract="0.39575833"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.33318"
                        xFract="0.75037678"
                        y3="6.33804"
                        yFract="0.75095261"
                        z3="6.48744"
                        zFract="0.291964"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.13681"
                        xFract="0.25317654"
                        y3="6.36874"
                        yFract="0.75459005"
                        z3="6.46587"
                        zFract="0.29099325"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="-0.06585"
                        xFract="-0.00780213"
                        y3="2.08617"
                        yFract="0.24717654"
                        z3="8.78409"
                        zFract="0.39532358"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.00392"
                        xFract="0.00046445"
                        y3="4.20126"
                        yFract="0.49777962"
                        z3="6.47489"
                        zFract="0.29139919"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21584"
                        xFract="0.49950711"
                        y3="6.33122"
                        yFract="0.75014455"
                        z3="4.34868"
                        zFract="0.19571017"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="6.31622"
                        xFract="0.7483673"
                        y3="4.22214"
                        yFract="0.50025355"
                        z3="4.26725"
                        zFract="0.19204545"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.12296"
                        xFract="0.25153555"
                        y3="-0.02983"
                        yFract="-0.00353436"
                        z3="4.27612"
                        zFract="0.19244464"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="-0.04449"
                        xFract="-0.00527133"
                        y3="2.13771"
                        yFract="0.25328318"
                        z3="4.27818"
                        zFract="0.19253735"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="-0.00278"
                        xFract="-0.00032938"
                        y3="6.33136"
                        yFract="0.75016114"
                        z3="8.66062"
                        zFract="0.38976688"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="2.07698"
                        xFract="0.24608768"
                        y3="2.09324"
                        yFract="0.24801422"
                        z3="6.25549"
                        zFract="0.2815252"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="-0.01292"
                        xFract="-0.00153081"
                        y3="6.30581"
                        yFract="0.74713389"
                        z3="4.33962"
                        zFract="0.19530243"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.08246"
                        xFract="0.24673697"
                        y3="4.29694"
                        yFract="0.50911611"
                        z3="8.57528"
                        zFract="0.38592619"/>
                  <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="0.01812"
                        xFract="0.00214692"
                        y3="2.10985"
                        yFract="0.24998223"
                        z3="6.37229"
                        zFract="0.28678173"/>
                  <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="2.11898"
                        xFract="0.25106398"
                        y3="0.04504"
                        yFract="0.00533649"
                        z3="6.3875"
                        zFract="0.28746625"/>
                  <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="-0.04152"
                        xFract="-0.00491943"
                        y3="-0.02643"
                        yFract="-0.00313152"
                        z3="4.32315"
                        zFract="0.19456121"/>
                  <atom elementType="O"
                        id="a48"
                        x3="-0.05936"
                        xFract="-0.00703318"
                        y3="0.03274"
                        yFract="0.00387915"
                        z3="8.5951"
                        zFract="0.38681818"/>
                  <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="2.14901"
                        xFract="0.25462204"
                        y3="2.14976"
                        yFract="0.2547109"
                        z3="4.17078"
                        zFract="0.18770387"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.30302"
                        xFract="0.27286967"
                        y3="1.91801"
                        yFract="0.22725237"
                        z3="9.22639"
                        zFract="0.41522907"/>
                  <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="4.16117"
                        xFract="0.49302962"
                        y3="2.09833"
                        yFract="0.2486173"
                        z3="6.46907"
                        zFract="0.29113726"/>
                  <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="6.31932"
                        xFract="0.7487346"
                        y3="0.08498"
                        yFract="0.01006872"
                        z3="6.46015"
                        zFract="0.29073582"/>
                  <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="4.24608"
                        xFract="0.50309005"
                        y3="0.01655"
                        yFract="0.0019609"
                        z3="4.23059"
                        zFract="0.19039559"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.33073"
                        xFract="0.51311967"
                        y3="-0.02752"
                        yFract="-0.00326066"
                        z3="8.58246"
                        zFract="0.38624932"/>
                  <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="6.29066"
                        xFract="0.74533886"
                        y3="2.07653"
                        yFract="0.24603436"
                        z3="4.40969"
                        zFract="0.1984559"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.3037"
                        xFract="0.74688389"
                        y3="2.05859"
                        yFract="0.24390877"
                        z3="8.54394"
                        zFract="0.38451575"/>
                  <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="-0.12855"
                        xFract="-0.01523104"
                        y3="6.32917"
                        yFract="0.74990166"
                        z3="6.47697"
                        zFract="0.2914928"/>
                  <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="2.08844"
                        xFract="0.2474455"
                        y3="4.1706"
                        yFract="0.49414692"
                        z3="6.46208"
                        zFract="0.29082268"/>
                  <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="0.02838"
                        xFract="0.00336256"
                        y3="4.24385"
                        yFract="0.50282583"
                        z3="4.14608"
                        zFract="0.18659226"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.08422"
                        xFract="0.00997867"
                        y3="4.13285"
                        yFract="0.48967417"
                        z3="8.92702"
                        zFract="0.40175608"/>
                  <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="2.14013"
                        xFract="0.25356991"
                        y3="6.31218"
                        yFract="0.74788863"
                        z3="4.34473"
                        zFract="0.1955324"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.10948"
                        xFract="0.24993839"
                        y3="6.40682"
                        yFract="0.7591019"
                        z3="8.63889"
                        zFract="0.38878893"/>
                  <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="4.36812"
                        xFract="0.51754976"
                        y3="6.32546"
                        yFract="0.74946209"
                        z3="6.57261"
                        zFract="0.29579703"/>
                  <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="6.36776"
                        xFract="0.75447393"
                        y3="4.12461"
                        yFract="0.48869787"
                        z3="6.51221"
                        zFract="0.29307876"/>
                  <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="4.1987"
                        xFract="0.4974763"
                        y3="4.20006"
                        yFract="0.49763744"
                        z3="4.41577"
                        zFract="0.19872952"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.20752"
                        xFract="0.49852133"
                        y3="4.19797"
                        yFract="0.49738981"
                        z3="8.59898"
                        zFract="0.3869928"/>
                  <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="6.28874"
                        xFract="0.74511137"
                        y3="6.35198"
                        yFract="0.75260427"
                        z3="4.06669"
                        zFract="0.18301935"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.37147"
                        xFract="0.75491351"
                        y3="6.34527"
                        yFract="0.75180924"
                        z3="8.84926"
                        zFract="0.39825653"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a51" order="S"/>
                  <bond atomRefs2="a2 a57" order="S"/>
                  <bond atomRefs2="a2 a56" order="S"/>
                  <bond atomRefs2="a2 a52" order="S"/>
                  <bond atomRefs2="a2 a54" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a3 a80" order="S"/>
                  <bond atomRefs2="a3 a79" order="S"/>
                  <bond atomRefs2="a3 a74" order="S"/>
                  <bond atomRefs2="a3 a72" order="S"/>
                  <bond atomRefs2="a4 a75" order="S"/>
                  <bond atomRefs2="a4 a60" order="S"/>
                  <bond atomRefs2="a4 a61" order="S"/>
                  <bond atomRefs2="a4 a55" order="S"/>
                  <bond atomRefs2="a5 a61" order="S"/>
                  <bond atomRefs2="a5 a55" order="S"/>
                  <bond atomRefs2="a5 a58" order="S"/>
                  <bond atomRefs2="a6 a49" order="S"/>
                  <bond atomRefs2="a6 a44" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a6 a56" order="S"/>
                  <bond atomRefs2="a7 a58" order="S"/>
                  <bond atomRefs2="a7 a53" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a8 a62" order="S"/>
                  <bond atomRefs2="a8 a66" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a11 a51" order="S"/>
                  <bond atomRefs2="a11 a53" order="S"/>
                  <bond atomRefs2="a11 a58" order="S"/>
                  <bond atomRefs2="a11 a61" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a78" order="S"/>
                  <bond atomRefs2="a12 a81" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a73" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a78" order="S"/>
                  <bond atomRefs2="a12 a71" order="S"/>
                  <bond atomRefs2="a13 a72" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a79" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a14 a75" order="S"/>
                  <bond atomRefs2="a14 a78" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a73" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a40" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a15 a39" order="S"/>
                  <bond atomRefs2="a15 a77" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a42" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a17 a67" order="S"/>
                  <bond atomRefs2="a17 a66" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a18 a60" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a52" order="S"/>
                  <bond atomRefs2="a18 a32" order="S"/>
                  <bond atomRefs2="a18 a77" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a18 a50" 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="a20 a54" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a20 a55" order="S"/>
                  <bond atomRefs2="a21 a59" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a23 a73" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a62" order="S"/>
                  <bond atomRefs2="a25 a72" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a72" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a27 a70" order="S"/>
                  <bond atomRefs2="a28 a68" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a30 a77" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a74" order="S"/>
                  <bond atomRefs2="a32 a75" order="S"/>
                  <bond atomRefs2="a32 a77" order="S"/>
                  <bond atomRefs2="a32 a80" order="S"/>
                  <bond atomRefs2="a32 a74" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a33 a56" order="S"/>
                  <bond atomRefs2="a33 a59" order="S"/>
                  <bond atomRefs2="a33 a76" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a57" order="S"/>
                  <bond atomRefs2="a35 a69" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a66" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a35 a76" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a46" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a38 a68" order="S"/>
                  <bond atomRefs2="a38 a63" order="S"/>
                  <bond atomRefs2="a38 a71" order="S"/>
                  <bond atomRefs2="a39 a45" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a40 a63" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a67" order="S"/>
                  <bond atomRefs2="a40 a62" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg12Ni8O40Zn10">
                  <atomArray count="1 10 12 8 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2690.733200000007</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
