<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-02-21T11:41:13.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="6.33819642"
                        xFract="0.75097114"
                        y3="2.10129904"
                        yFract="0.24896908"
                        z3="9.47351433"
                        zFract="0.42635078"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.10871982"
                        xFract="0.24984832"
                        y3="8.43060375"
                        yFract="0.9988867"
                        z3="4.13565861"
                        zFract="0.18612325"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="8.43375246"
                        xFract="0.99925977"
                        y3="2.09335657"
                        yFract="0.24802803"
                        z3="4.19044558"
                        zFract="0.18858891"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.20930365"
                        xFract="0.49873266"
                        y3="2.09649347"
                        yFract="0.2483997"
                        z3="8.43716998"
                        zFract="0.37971062"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.3404039"
                        xFract="0.75123269"
                        y3="0.01272313"
                        yFract="0.00150748"
                        z3="4.22325519"
                        zFract="0.19006549"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0255353"
                        xFract="0.00302551"
                        y3="8.42735983"
                        yFract="0.99850235"
                        z3="6.31618587"
                        zFract="0.28425679"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.00861817"
                        xFract="0.00102111"
                        y3="2.08700674"
                        yFract="0.24727568"
                        z3="8.46032411"
                        zFract="0.38075266"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.09023943"
                        xFract="0.2476587"
                        y3="6.35912855"
                        yFract="0.75345125"
                        z3="6.3157357"
                        zFract="0.28423653"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.22285204"
                        xFract="0.50033792"
                        y3="2.0869826"
                        yFract="0.24727282"
                        z3="4.21647009"
                        zFract="0.18976013"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.34344163"
                        xFract="0.75159261"
                        y3="8.42608658"
                        yFract="0.99835149"
                        z3="8.41264443"
                        zFract="0.37860686"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.33881609"
                        xFract="0.75104456"
                        y3="4.23345783"
                        yFract="0.50159453"
                        z3="8.45852917"
                        zFract="0.38067188"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.09473499"
                        xFract="0.24819135"
                        y3="4.18919814"
                        yFract="0.49635049"
                        z3="4.19068778"
                        zFract="0.18859981"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.08673843"
                        xFract="0.24724389"
                        y3="8.42813159"
                        yFract="0.99859379"
                        z3="8.59961973"
                        zFract="0.38702159"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.35082713"
                        xFract="0.75246767"
                        y3="6.34250437"
                        yFract="0.75148156"
                        z3="6.40586757"
                        zFract="0.28829287"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.23699208"
                        xFract="0.50201328"
                        y3="6.34052291"
                        yFract="0.75124679"
                        z3="8.63228624"
                        zFract="0.38849173"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="6.34995452"
                        xFract="0.75236428"
                        y3="4.21391164"
                        yFract="0.49927863"
                        z3="4.20854821"
                        zFract="0.18940361"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.00759338"
                        xFract="0.00089969"
                        y3="6.35640395"
                        yFract="0.75312843"
                        z3="8.56499475"
                        zFract="0.38546331"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.00723443"
                        xFract="0.00085716"
                        y3="6.31122784"
                        yFract="0.74777581"
                        z3="4.17614346"
                        zFract="0.18794525"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.18103775"
                        xFract="0.49538362"
                        y3="8.39462605"
                        yFract="0.99462394"
                        z3="6.39585902"
                        zFract="0.28784244"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.20835888"
                        xFract="0.49862072"
                        y3="4.26011608"
                        yFract="0.50475309"
                        z3="6.38200196"
                        zFract="0.28721881"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.08751246"
                        xFract="0.2473356"
                        y3="2.08845454"
                        yFract="0.24744722"
                        z3="6.38510209"
                        zFract="0.28735833"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.00754595"
                        xFract="0.00089407"
                        y3="4.25922321"
                        yFract="0.5046473"
                        z3="6.38010859"
                        zFract="0.2871336"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.34564548"
                        xFract="0.75185373"
                        y3="2.11327354"
                        yFract="0.25038786"
                        z3="6.3677245"
                        zFract="0.28657626"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.25888873"
                        xFract="0.50460767"
                        y3="6.30566005"
                        yFract="0.74711612"
                        z3="4.22970143"
                        zFract="0.1903556"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.11483587"
                        xFract="0.25057297"
                        y3="4.24745515"
                        yFract="0.50325298"
                        z3="8.49924177"
                        zFract="0.38250413"/>
                  <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="0.02340378"
                        xFract="0.00277296"
                        y3="2.07843533"
                        yFract="0.24626011"
                        z3="6.23181476"
                        zFract="0.28045971"/>
                  <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="2.06268899"
                        xFract="0.24439443"
                        y3="8.39552458"
                        yFract="0.9947304"
                        z3="6.03478935"
                        zFract="0.27159268"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.36516632"
                        xFract="0.99113345"
                        y3="0.17699895"
                        yFract="0.02097144"
                        z3="4.18303521"
                        zFract="0.18825541"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.0341847"
                        xFract="0.00405032"
                        y3="0.08328837"
                        yFract="0.00986829"
                        z3="8.39186806"
                        zFract="0.37767183"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13755078"
                        xFract="0.25326431"
                        y3="1.91420171"
                        yFract="0.22680115"
                        z3="4.14421154"
                        zFract="0.18650817"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.11274283"
                        xFract="0.25032498"
                        y3="2.07053093"
                        yFract="0.24532357"
                        z3="8.48233457"
                        zFract="0.38174323"/>
                  <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="4.18334348"
                        xFract="0.49565681"
                        y3="2.10747357"
                        yFract="0.24970066"
                        z3="6.34507121"
                        zFract="0.28555676"/>
                  <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="6.36638712"
                        xFract="0.75431127"
                        y3="8.40547643"
                        yFract="0.99590953"
                        z3="6.287101"
                        zFract="0.28294784"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.29947281"
                        xFract="0.50941621"
                        y3="0.00136314"
                        yFract="0.00016151"
                        z3="4.22844134"
                        zFract="0.19029889"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.21110145"
                        xFract="0.49894567"
                        y3="0.02710126"
                        yFract="0.00321105"
                        z3="8.4883873"
                        zFract="0.38201563"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.29362495"
                        xFract="0.74569016"
                        y3="1.98504833"
                        yFract="0.2351953"
                        z3="4.24712391"
                        zFract="0.19113969"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.33819642"
                        xFract="0.75097114"
                        y3="2.10129904"
                        yFract="0.24896908"
                        z3="8.47361433"
                        zFract="0.38135078"/>
                  <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="0.14171604"
                        xFract="0.016791"
                        y3="6.36787771"
                        yFract="0.75448788"
                        z3="6.17846631"
                        zFract="0.27805879"/>
                  <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="2.0961963"
                        xFract="0.24836449"
                        y3="4.2818728"
                        yFract="0.5073309"
                        z3="6.24799247"
                        zFract="0.28118778"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.01262464"
                        xFract="0.00149581"
                        y3="4.00128078"
                        yFract="0.4740854"
                        z3="4.21841189"
                        zFract="0.18984752"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.02615007"
                        xFract="0.00309835"
                        y3="4.12606955"
                        yFract="0.4888708"
                        z3="8.49629873"
                        zFract="0.38237168"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.04930754"
                        xFract="0.24280895"
                        y3="6.50792685"
                        yFract="0.77108138"
                        z3="4.16170979"
                        zFract="0.18729567"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.08211382"
                        xFract="0.24669595"
                        y3="6.38528099"
                        yFract="0.75654988"
                        z3="8.39561924"
                        zFract="0.37784065"/>
                  <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="4.05654733"
                        xFract="0.48063357"
                        y3="6.33254331"
                        yFract="0.75030134"
                        z3="6.25130836"
                        zFract="0.28133701"/>
                  <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="6.33644453"
                        xFract="0.75076357"
                        y3="4.26521494"
                        yFract="0.50535722"
                        z3="6.33497155"
                        zFract="0.28510223"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.21075702"
                        xFract="0.49890486"
                        y3="4.1770723"
                        yFract="0.49491378"
                        z3="4.18344317"
                        zFract="0.18827377"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.20632754"
                        xFract="0.49838004"
                        y3="4.18960469"
                        yFract="0.49639866"
                        z3="8.52953652"
                        zFract="0.38386753"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.41258591"
                        xFract="0.75978506"
                        y3="6.46298689"
                        yFract="0.76575674"
                        z3="4.26881485"
                        zFract="0.19211588"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.37000121"
                        xFract="0.75473948"
                        y3="6.33771585"
                        yFract="0.7509142"
                        z3="8.53307283"
                        zFract="0.38402668"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a61" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a50" order="S"/>
                  <bond atomRefs2="a3 a44" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a4 a45" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a47" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a76" order="S"/>
                  <bond atomRefs2="a9 a79" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a68" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a74" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a49" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a55" order="S"/>
                  <bond atomRefs2="a15 a81" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a81" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a19 a52" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a46" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a67" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a22 a77" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a62" order="S"/>
                  <bond atomRefs2="a23 a67" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a24 a71" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a81" order="S"/>
                  <bond atomRefs2="a26 a71" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a28 a79" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a72" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a29 a74" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a31 a70" order="S"/>
                  <bond atomRefs2="a31 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a78" order="S"/>
                  <bond atomRefs2="a34 a75" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a51" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a36 a68" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a61" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a38 a70" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a76" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="6.33819641"
                        xFract="0.75097114"
                        y3="2.10129904"
                        yFract="0.24896908"
                        z3="9.47351426"
                        zFract="0.42635078"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.10871981"
                        xFract="0.24984832"
                        y3="8.43060374"
                        yFract="0.9988867"
                        z3="4.13565859"
                        zFract="0.18612325"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="8.43375244"
                        xFract="0.99925977"
                        y3="2.09335661"
                        yFract="0.24802803"
                        z3="4.1904456"
                        zFract="0.18858891"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.20930363"
                        xFract="0.49873266"
                        y3="2.09649344"
                        yFract="0.2483997"
                        z3="8.43717002"
                        zFract="0.37971062"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.34040387"
                        xFract="0.75123269"
                        y3="0.01272313"
                        yFract="0.00150748"
                        z3="4.2232551"
                        zFract="0.19006549"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.02553534"
                        xFract="0.00302551"
                        y3="8.42735981"
                        yFract="0.99850235"
                        z3="6.31618587"
                        zFract="0.28425679"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.00861819"
                        xFract="0.00102111"
                        y3="2.08700676"
                        yFract="0.24727568"
                        z3="8.46032406"
                        zFract="0.38075266"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.09023942"
                        xFract="0.2476587"
                        y3="6.35912855"
                        yFract="0.75345125"
                        z3="6.31573572"
                        zFract="0.28423653"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.22285205"
                        xFract="0.50033792"
                        y3="2.0869826"
                        yFract="0.24727282"
                        z3="4.21647011"
                        zFract="0.18976013"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.3434416"
                        xFract="0.75159261"
                        y3="8.42608654"
                        yFract="0.99835149"
                        z3="8.41264454"
                        zFract="0.37860687"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.33881609"
                        xFract="0.75104456"
                        y3="4.23345782"
                        yFract="0.50159453"
                        z3="8.4585292"
                        zFract="0.38067188"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.094735"
                        xFract="0.24819135"
                        y3="4.18919814"
                        yFract="0.49635049"
                        z3="4.19068782"
                        zFract="0.18859981"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.08673841"
                        xFract="0.24724389"
                        y3="8.42813156"
                        yFract="0.99859379"
                        z3="8.59961969"
                        zFract="0.38702159"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.3508271"
                        xFract="0.75246767"
                        y3="6.34250435"
                        yFract="0.75148156"
                        z3="6.40586762"
                        zFract="0.28829287"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.23699207"
                        xFract="0.50201328"
                        y3="6.34052292"
                        yFract="0.75124679"
                        z3="8.63228624"
                        zFract="0.38849173"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="6.34995448"
                        xFract="0.75236428"
                        y3="4.21391162"
                        yFract="0.49927863"
                        z3="4.20854819"
                        zFract="0.18940361"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.00759335"
                        xFract="0.00089969"
                        y3="6.35640394"
                        yFract="0.75312843"
                        z3="8.56499466"
                        zFract="0.38546331"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.00723441"
                        xFract="0.00085716"
                        y3="6.31122785"
                        yFract="0.74777581"
                        z3="4.17614348"
                        zFract="0.18794525"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.18103776"
                        xFract="0.49538362"
                        y3="8.39462605"
                        yFract="0.99462394"
                        z3="6.39585904"
                        zFract="0.28784244"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.20835885"
                        xFract="0.49862072"
                        y3="4.2601161"
                        yFract="0.50475309"
                        z3="6.382002"
                        zFract="0.28721881"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.08751243"
                        xFract="0.2473356"
                        y3="2.08845452"
                        yFract="0.24744722"
                        z3="6.38510214"
                        zFract="0.28735833"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.00754595"
                        xFract="0.00089407"
                        y3="4.2592232"
                        yFract="0.5046473"
                        z3="6.3801087"
                        zFract="0.28713361"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.34564547"
                        xFract="0.75185373"
                        y3="2.11327353"
                        yFract="0.25038786"
                        z3="6.36772443"
                        zFract="0.28657626"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.25888873"
                        xFract="0.50460767"
                        y3="6.30566002"
                        yFract="0.74711612"
                        z3="4.22970141"
                        zFract="0.1903556"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.11483582"
                        xFract="0.25057296"
                        y3="4.24745512"
                        yFract="0.50325298"
                        z3="8.49924168"
                        zFract="0.38250413"/>
                  <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="0.02340377"
                        xFract="0.00277296"
                        y3="2.07843532"
                        yFract="0.24626011"
                        z3="6.23181469"
                        zFract="0.28045971"/>
                  <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="2.06268899"
                        xFract="0.24439443"
                        y3="8.39552456"
                        yFract="0.9947304"
                        z3="6.03478937"
                        zFract="0.27159268"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.3651663"
                        xFract="0.99113345"
                        y3="0.17699894"
                        yFract="0.02097144"
                        z3="4.1830353"
                        zFract="0.18825541"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.03418472"
                        xFract="0.00405032"
                        y3="0.08328839"
                        yFract="0.00986829"
                        z3="8.39186802"
                        zFract="0.37767183"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13755081"
                        xFract="0.25326431"
                        y3="1.91420175"
                        yFract="0.22680116"
                        z3="4.14421152"
                        zFract="0.18650817"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.11274285"
                        xFract="0.25032498"
                        y3="2.07053091"
                        yFract="0.24532357"
                        z3="8.48233457"
                        zFract="0.38174323"/>
                  <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="4.18334345"
                        xFract="0.49565681"
                        y3="2.10747354"
                        yFract="0.24970066"
                        z3="6.34507118"
                        zFract="0.28555676"/>
                  <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="6.36638712"
                        xFract="0.75431127"
                        y3="8.40547642"
                        yFract="0.99590953"
                        z3="6.28710098"
                        zFract="0.28294784"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.2994728"
                        xFract="0.50941621"
                        y3="0.00136313"
                        yFract="0.00016151"
                        z3="4.22844131"
                        zFract="0.19029889"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.21110149"
                        xFract="0.49894567"
                        y3="0.02710125"
                        yFract="0.00321105"
                        z3="8.48838732"
                        zFract="0.38201563"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.29362496"
                        xFract="0.74569016"
                        y3="1.98504836"
                        yFract="0.2351953"
                        z3="4.24712398"
                        zFract="0.19113969"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.33819641"
                        xFract="0.75097114"
                        y3="2.10129904"
                        yFract="0.24896908"
                        z3="8.47361426"
                        zFract="0.38135078"/>
                  <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="0.14171605"
                        xFract="0.016791"
                        y3="6.36787768"
                        yFract="0.75448788"
                        z3="6.17846627"
                        zFract="0.27805879"/>
                  <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="2.0961963"
                        xFract="0.24836449"
                        y3="4.2818728"
                        yFract="0.5073309"
                        z3="6.24799249"
                        zFract="0.28118778"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.01262466"
                        xFract="0.00149581"
                        y3="4.00128078"
                        yFract="0.4740854"
                        z3="4.21841181"
                        zFract="0.18984752"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.02615007"
                        xFract="0.00309835"
                        y3="4.12606958"
                        yFract="0.4888708"
                        z3="8.49629871"
                        zFract="0.38237168"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.04930758"
                        xFract="0.24280895"
                        y3="6.50792686"
                        yFract="0.77108138"
                        z3="4.16170981"
                        zFract="0.18729567"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.08211378"
                        xFract="0.24669594"
                        y3="6.38528099"
                        yFract="0.75654988"
                        z3="8.39561922"
                        zFract="0.37784065"/>
                  <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="4.05654732"
                        xFract="0.48063357"
                        y3="6.33254327"
                        yFract="0.75030133"
                        z3="6.25130845"
                        zFract="0.28133701"/>
                  <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="6.33644454"
                        xFract="0.75076357"
                        y3="4.26521496"
                        yFract="0.50535722"
                        z3="6.33497166"
                        zFract="0.28510223"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.21075699"
                        xFract="0.49890486"
                        y3="4.17707232"
                        yFract="0.49491378"
                        z3="4.18344328"
                        zFract="0.18827378"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.20632755"
                        xFract="0.49838004"
                        y3="4.18960468"
                        yFract="0.49639866"
                        z3="8.52953649"
                        zFract="0.38386753"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.41258593"
                        xFract="0.75978506"
                        y3="6.46298689"
                        yFract="0.76575674"
                        z3="4.2688149"
                        zFract="0.19211588"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.37000118"
                        xFract="0.75473948"
                        y3="6.33771584"
                        yFract="0.7509142"
                        z3="8.5330729"
                        zFract="0.38402668"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a61" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a50" order="S"/>
                  <bond atomRefs2="a3 a44" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a4 a45" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a47" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a76" order="S"/>
                  <bond atomRefs2="a9 a79" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a68" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a74" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a49" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a55" order="S"/>
                  <bond atomRefs2="a15 a81" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a81" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a19 a52" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a46" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a67" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a22 a77" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a62" order="S"/>
                  <bond atomRefs2="a23 a67" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a24 a71" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a25 a55" order="S"/>
                  <bond atomRefs2="a25 a75" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a81" order="S"/>
                  <bond atomRefs2="a26 a71" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a28 a79" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a72" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a29 a74" order="S"/>
                  <bond atomRefs2="a29 a75" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a31 a70" order="S"/>
                  <bond atomRefs2="a31 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a78" order="S"/>
                  <bond atomRefs2="a34 a75" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a51" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a36 a68" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a61" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a38 a70" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a76" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">591.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.02</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="6">PAW_PBE H 15Jun2001|PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="6">H Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">1.000 58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">1.000 10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">1 10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-20.0354 -18.7284 -18.3443 -18.2582 -18.2507 -17.9701 -17.9333 -17.9247 -17.8535 -17.8178 -17.7686 -17.6971 -17.6508 -17.6335 -17.6109 -17.5864 -17.5700 -17.5453 -17.5078 -17.4865 -17.4582 -17.4244 -17.3838 -17.3528 -17.3265 -17.3087 -17.2732 -17.2423 -17.1915 -17.1525 -17.1117 -17.0968 -17.0728 -17.0443 -17.0137 -16.9643 -16.9473 -16.8938 -16.8587 -16.7529 -7.5263 -6.7793 -6.6783 -6.5697 -6.4923 -6.3277 -6.2818 -6.2102 -6.1770 -6.1645 -6.1047 -6.0730 -6.0502 -6.0331 -5.9858 -5.9546 -5.9162 -5.9011 -5.8765 -5.8635 -5.8419 -5.8199 -5.7862 -5.7747 -5.7488 -5.7343 -5.7151 -5.6898 -5.6696 -5.6494 -5.6105 -5.5919 -5.5809 -5.5443 -5.5366 -5.5166 -5.4936 -5.4713 -5.4478 -5.4263 -5.3966 -5.3827 -5.3594 -5.3479 -5.3206 -5.3058 -5.2755 -5.2545 -5.2332 -5.2020 -5.1838 -5.1536 -5.1227 -5.1040 -5.0875 -5.0718 -5.0362 -5.0257 -5.0130 -4.9695 -4.9531 -4.9220 -4.8914 -4.8663 -4.8336 -4.7964 -4.7669 -4.7417 -4.7198 -4.6729 -4.6365 -4.6191 -4.6061 -4.5724 -4.5444 -4.4981 -4.4699 -4.4431 -4.4113 -4.4013 -4.3798 -4.3429 -4.3090 -4.2777 -4.2522 -4.2390 -4.1908 -4.1616 -4.1574 -4.1175 -4.1005 -4.0650 -4.0349 -4.0116 -3.9886 -3.9616 -3.9481 -3.9124 -3.8701 -3.8561 -3.8248 -3.7956 -3.7727 -3.7452 -3.7263 -3.7151 -3.6631 -3.6308 -3.5969 -3.5867 -3.5695 -3.5233 -3.5169 -3.4756 -3.4441 -3.3962 -3.3718 -3.3346 -3.3195 -3.2593 -3.2493 -3.2303 -3.1997 -3.1488 -3.1007 -3.0893 -3.0555 -3.0297 -3.0072 -2.9794 -2.9642 -2.9509 -2.8947 -2.8508 -2.8080 -2.7795 -2.7619 -2.7473 -2.7139 -2.6913 -2.6209 -2.5871 -2.5633 -2.5114 -2.4836 -2.4482 -2.4273 -2.3604 -2.3256 -2.2812 -2.2555 -2.1973 -2.1714 -2.1397 -2.0983 -2.0700 -2.0255 -2.0062 -1.9689 -1.9002 -1.8351 -1.7861 -1.7646 -1.6637 -1.5810 -1.5441 -1.5269 -1.4587 -1.4402 -1.4233 -1.3981 -1.3696 -1.3405 -1.3152 -1.3096 -1.2766 -1.2473 -1.2006 -1.1710 -1.1613 -1.1343 -1.1182 -1.1001 -1.0801 -1.0686 -1.0411 -1.0180 -0.9980 -0.9848 -0.9770 -0.9535 -0.9404 -0.9313 -0.9049 -0.8899 -0.8721 -0.8568 -0.8478 -0.8277 -0.8201 -0.7890 -0.7711 -0.7592 -0.7494 -0.7341 -0.7203 -0.6965 -0.6914 -0.6665 -0.6421 -0.6382 -0.6224 -0.6118 -0.6005 -0.5836 -0.5705 -0.5505 -0.5398 -0.5238 -0.5120 -0.5024 -0.4860 -0.4794 -0.4494 -0.4420 -0.4362 -0.4208 -0.4110 -0.3824 -0.3705 -0.3539 -0.3223 -0.3007 -0.2864 -0.2660 -0.2467 -0.2284 -0.1990 -0.1691 -0.1658 -0.1325 -0.1067 -0.0885 -0.0069 0.0092 0.0341 0.0670 0.0945 0.1206 0.1519 0.2235 0.2792 0.3165 0.3617 0.3942 0.4427 0.4559 0.4946 0.5530 0.6511 0.7756 0.8219 0.9690 1.1032 1.1113 1.2726 1.2990 1.4013 1.5512 1.6671 2.3138 2.6534 3.5914 3.7722 3.7937 3.9749 4.0690 4.5816 4.6175 4.7231 4.8476 4.9560 5.0472 5.2175 5.3134 5.4566 5.5680 5.6623 5.7018 5.7499 5.7883 5.8472 5.9333 5.9859 6.0086 6.0879 6.1392 6.1795 6.3367 6.4225 6.4798 6.5573 6.7093 6.8114 6.8502 6.8943 6.9522 7.0549 7.1360 7.1668 7.2126 7.2757 7.3997 7.4581 7.5424 7.5903 7.6628 7.7859 7.8251 7.8998 7.9577 8.0325 8.0468 8.1655 -20.0354 -18.7279 -18.3606 -18.2536 -18.2278 -17.9884 -17.9566 -17.8933 -17.8566 -17.8106 -17.7747 -17.7112 -17.6482 -17.6277 -17.6040 -17.5893 -17.5644 -17.5438 -17.5157 -17.4779 -17.4536 -17.4337 -17.3746 -17.3635 -17.3283 -17.3012 -17.2704 -17.2441 -17.1951 -17.1664 -17.1267 -17.0778 -17.0511 -17.0430 -17.0253 -16.9663 -16.9494 -16.8998 -16.8504 -16.7550 -7.5261 -6.7830 -6.6778 -6.5796 -6.4875 -6.3424 -6.2599 -6.1957 -6.1804 -6.1276 -6.1121 -6.0769 -6.0623 -6.0141 -5.9841 -5.9563 -5.9459 -5.9034 -5.8995 -5.8838 -5.8415 -5.8044 -5.7820 -5.7623 -5.7588 -5.7335 -5.7046 -5.6909 -5.6812 -5.6460 -5.6060 -5.5907 -5.5749 -5.5551 -5.5266 -5.5067 -5.5004 -5.4708 -5.4483 -5.4202 -5.3919 -5.3810 -5.3674 -5.3368 -5.3169 -5.2908 -5.2709 -5.2518 -5.2195 -5.2112 -5.2016 -5.1623 -5.1429 -5.1094 -5.0966 -5.0763 -5.0354 -5.0149 -4.9979 -4.9703 -4.9315 -4.9152 -4.8976 -4.8759 -4.8499 -4.8078 -4.7770 -4.7573 -4.7209 -4.6938 -4.6762 -4.6158 -4.5886 -4.5808 -4.5295 -4.5051 -4.4848 -4.4551 -4.4278 -4.3835 -4.3603 -4.3458 -4.3160 -4.2564 -4.2404 -4.2229 -4.2049 -4.1571 -4.1382 -4.1175 -4.0956 -4.0515 -4.0324 -4.0036 -3.9863 -3.9520 -3.9422 -3.9119 -3.8803 -3.8510 -3.8173 -3.7860 -3.7678 -3.7560 -3.7420 -3.6928 -3.6703 -3.6509 -3.6088 -3.5687 -3.5363 -3.5123 -3.4995 -3.4671 -3.4252 -3.3931 -3.3703 -3.3361 -3.3038 -3.2929 -3.2517 -3.2141 -3.2034 -3.1574 -3.1162 -3.0858 -3.0546 -3.0193 -2.9866 -2.9746 -2.9585 -2.9360 -2.9159 -2.8890 -2.8316 -2.8132 -2.7857 -2.7429 -2.7067 -2.6839 -2.6405 -2.6005 -2.5745 -2.5460 -2.4907 -2.4486 -2.4146 -2.3692 -2.3331 -2.2916 -2.2435 -2.2303 -2.1547 -2.1367 -2.1023 -2.0789 -2.0345 -1.9743 -1.9306 -1.8875 -1.8575 -1.7935 -1.7346 -1.6646 -1.5930 -1.5465 -1.5160 -1.4469 -1.4319 -1.4207 -1.4029 -1.3620 -1.3279 -1.3164 -1.2895 -1.2621 -1.2434 -1.2093 -1.1732 -1.1534 -1.1345 -1.1205 -1.0961 -1.0847 -1.0644 -1.0435 -1.0257 -1.0077 -0.9969 -0.9738 -0.9577 -0.9385 -0.9256 -0.9098 -0.8879 -0.8650 -0.8587 -0.8435 -0.8344 -0.8127 -0.8027 -0.7696 -0.7621 -0.7498 -0.7414 -0.7191 -0.6864 -0.6718 -0.6601 -0.6550 -0.6399 -0.6143 -0.6046 -0.5986 -0.5870 -0.5671 -0.5611 -0.5486 -0.5336 -0.5235 -0.5075 -0.4837 -0.4740 -0.4597 -0.4525 -0.4282 -0.4108 -0.3974 -0.3786 -0.3712 -0.3515 -0.3143 -0.2997 -0.2842 -0.2698 -0.2548 -0.2256 -0.1954 -0.1750 -0.1526 -0.1309 -0.1068 -0.0867 -0.0205 0.0163 0.0394 0.0523 0.0783 0.1166 0.1634 0.2294 0.2809 0.3049 0.3557 0.4008 0.4424 0.4523 0.4977 0.5506 0.6463 0.7739 0.8194 0.9732 1.0987 1.1119 1.2718 1.3152 1.4002 1.5455 1.6670 2.3094 2.6500 3.6007 3.7904 3.8586 3.9314 3.9618 4.6163 4.6710 4.7509 4.8943 4.9343 5.0221 5.1917 5.3586 5.4480 5.4989 5.5475 5.7255 5.7856 5.8121 5.8611 5.9073 5.9590 6.0323 6.0761 6.1317 6.2433 6.3341 6.4187 6.4868 6.5544 6.6966 6.8106 6.8673 6.9045 6.9890 7.0468 7.1193 7.1557 7.2893 7.3026 7.3990 7.4513 7.4972 7.5740 7.6752 7.7298 7.8067 7.9419 7.9668 8.0105 8.0837 8.1594</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.83277 0.01047 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.86034 0.01650 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.9595 -18.6600 -18.3028 -18.2292 -18.1596 -17.9563 -17.8851 -17.8250 -17.7847 -17.7632 -17.7021 -17.6482 -17.6139 -17.5728 -17.5651 -17.5302 -17.4924 -17.4614 -17.4454 -17.4202 -17.3973 -17.3823 -17.3544 -17.3125 -17.2858 -17.2717 -17.2338 -17.1909 -17.1541 -17.0521 -17.0493 -17.0253 -16.9810 -16.9732 -16.9465 -16.9170 -16.8549 -16.8080 -16.7636 -16.6532 -7.4626 -6.7255 -6.6287 -6.5472 -6.4670 -6.2897 -6.2522 -6.1911 -6.1584 -6.1232 -6.0689 -6.0431 -6.0102 -5.9938 -5.9458 -5.9068 -5.8806 -5.8670 -5.8298 -5.8199 -5.8065 -5.7748 -5.7600 -5.7453 -5.7115 -5.7001 -5.6734 -5.6630 -5.6465 -5.6232 -5.5777 -5.5678 -5.5578 -5.5218 -5.5122 -5.4917 -5.4638 -5.4542 -5.4298 -5.3972 -5.3735 -5.3566 -5.3366 -5.3210 -5.2996 -5.2758 -5.2448 -5.2190 -5.2026 -5.1811 -5.1440 -5.1242 -5.0888 -5.0704 -5.0484 -5.0186 -4.9983 -4.9900 -4.9617 -4.9211 -4.9022 -4.8639 -4.8495 -4.8007 -4.7754 -4.7423 -4.7115 -4.6894 -4.6425 -4.6221 -4.5810 -4.5676 -4.5471 -4.5062 -4.4687 -4.4551 -4.3900 -4.3838 -4.3558 -4.3221 -4.2975 -4.2733 -4.2462 -4.2043 -4.1799 -4.1350 -4.1044 -4.0869 -4.0659 -4.0124 -3.9859 -3.9493 -3.9184 -3.8790 -3.8631 -3.8284 -3.8203 -3.7868 -3.7401 -3.6901 -3.6498 -3.6414 -3.6086 -3.5668 -3.5470 -3.5112 -3.4812 -3.4524 -3.4348 -3.4206 -3.3736 -3.3491 -3.3334 -3.2883 -3.2481 -3.2229 -3.2015 -3.1708 -3.1551 -3.1189 -3.0923 -3.0780 -3.0578 -3.0108 -2.9675 -2.9418 -2.9280 -2.9164 -2.8783 -2.8630 -2.8336 -2.7961 -2.7785 -2.7342 -2.7171 -2.6992 -2.6566 -2.6252 -2.5992 -2.5497 -2.4833 -2.4713 -2.4283 -2.4090 -2.3763 -2.3268 -2.3153 -2.2337 -2.2072 -2.1768 -2.1272 -2.1074 -2.0632 -2.0308 -1.9787 -1.9418 -1.8891 -1.8456 -1.7893 -1.7650 -1.6958 -1.6528 -1.6228 -1.5928 -1.5572 -1.5010 -1.4978 -1.4493 -1.4255 -1.3886 -1.3689 -1.3243 -1.2941 -1.2340 -1.1911 -1.1599 -1.1127 -1.0805 -1.0668 -1.0397 -0.9877 -0.9805 -0.9556 -0.9217 -0.8979 -0.8883 -0.8765 -0.8607 -0.8331 -0.8177 -0.8042 -0.7805 -0.7531 -0.7330 -0.7119 -0.6903 -0.6678 -0.6381 -0.6287 -0.6164 -0.6053 -0.5610 -0.5291 -0.4994 -0.4638 -0.4522 -0.4302 -0.4257 -0.3942 -0.3819 -0.3277 -0.2689 -0.2571 -0.2443 -0.2103 -0.1918 -0.1274 -0.1084 -0.0965 -0.0670 -0.0555 -0.0368 -0.0262 -0.0028 0.0030 0.0182 0.0362 0.0551 0.0773 0.0983 0.1091 0.1260 0.1394 0.1779 0.1869 0.1949 0.2292 0.2328 0.2512 0.2836 0.3000 0.3279 0.3650 0.4127 0.4454 0.4987 0.5930 0.6279 0.6441 0.7791 0.8028 0.8065 0.9240 1.0595 1.1003 1.2495 1.3450 1.5528 1.6282 1.6864 1.7290 1.7533 1.7883 1.8497 1.9843 2.0006 2.0467 2.1115 2.1744 2.1866 2.4088 2.7386 3.6588 3.8287 3.8460 4.0504 4.1903 4.6190 4.6645 4.7206 4.7939 4.9566 5.0716 5.2813 5.3680 5.4852 5.5975 5.6798 5.7513 5.7967 5.8318 5.8863 5.9294 5.9885 6.0777 6.1165 6.1861 6.2235 6.3580 6.4523 6.5049 6.5604 6.7133 6.7540 6.8489 6.8933 6.9687 7.0763 7.1082 7.1896 7.2335 7.2829 7.3968 7.4541 7.5490 7.6016 7.6726 7.7581 7.8198 7.8513 7.9093 8.0052 8.0802 8.1736 -19.9595 -18.6598 -18.3097 -18.2232 -18.1541 -17.9589 -17.8872 -17.8269 -17.7839 -17.7629 -17.7037 -17.6530 -17.6240 -17.5675 -17.5547 -17.5242 -17.4915 -17.4691 -17.4312 -17.4222 -17.4020 -17.3842 -17.3573 -17.3092 -17.2913 -17.2693 -17.2310 -17.1944 -17.1543 -17.0588 -17.0345 -17.0168 -17.0116 -16.9742 -16.9281 -16.9182 -16.8558 -16.8050 -16.7681 -16.6527 -7.4624 -6.7317 -6.6265 -6.5576 -6.4603 -6.3096 -6.2285 -6.1742 -6.1460 -6.1127 -6.0687 -6.0353 -6.0107 -5.9863 -5.9580 -5.9114 -5.8950 -5.8770 -5.8588 -5.8382 -5.8062 -5.7785 -5.7495 -5.7292 -5.7123 -5.6958 -5.6748 -5.6655 -5.6440 -5.6317 -5.5825 -5.5662 -5.5471 -5.5252 -5.5025 -5.4895 -5.4714 -5.4456 -5.4219 -5.3982 -5.3739 -5.3611 -5.3324 -5.3093 -5.2854 -5.2569 -5.2312 -5.2239 -5.2024 -5.1858 -5.1589 -5.1241 -5.1142 -5.0764 -5.0494 -5.0284 -5.0035 -4.9691 -4.9385 -4.9261 -4.8795 -4.8576 -4.8289 -4.8177 -4.7857 -4.7616 -4.7262 -4.7032 -4.6644 -4.6470 -4.5988 -4.5633 -4.5481 -4.5311 -4.4671 -4.4398 -4.4181 -4.3784 -4.3397 -4.3137 -4.2810 -4.2719 -4.2402 -4.2037 -4.1939 -4.1423 -4.1175 -4.0893 -4.0402 -4.0232 -3.9725 -3.9423 -3.9196 -3.8724 -3.8473 -3.8057 -3.7828 -3.7617 -3.7336 -3.7067 -3.6472 -3.6301 -3.6179 -3.5836 -3.5534 -3.5479 -3.4874 -3.4584 -3.4363 -3.4188 -3.3763 -3.3556 -3.3016 -3.2808 -3.2506 -3.2371 -3.1890 -3.1700 -3.1521 -3.0949 -3.0894 -3.0601 -3.0319 -3.0051 -2.9795 -2.9407 -2.9278 -2.9120 -2.8776 -2.8548 -2.8359 -2.7998 -2.7804 -2.7534 -2.7312 -2.6961 -2.6809 -2.6182 -2.5924 -2.5447 -2.5142 -2.4790 -2.4479 -2.4133 -2.3727 -2.3194 -2.3091 -2.2720 -2.2097 -2.1891 -2.1429 -2.0965 -2.0442 -2.0208 -1.9795 -1.9370 -1.8889 -1.8644 -1.7866 -1.7636 -1.6963 -1.6564 -1.6177 -1.5944 -1.5476 -1.5107 -1.4808 -1.4548 -1.4319 -1.3920 -1.3471 -1.3211 -1.2778 -1.2583 -1.2056 -1.1613 -1.1071 -1.0871 -1.0608 -1.0458 -0.9916 -0.9757 -0.9538 -0.9271 -0.9041 -0.8867 -0.8614 -0.8490 -0.8420 -0.8318 -0.8007 -0.7870 -0.7588 -0.7242 -0.7048 -0.6882 -0.6705 -0.6454 -0.6261 -0.5993 -0.5779 -0.5624 -0.5421 -0.4983 -0.4618 -0.4532 -0.4349 -0.4284 -0.3855 -0.3700 -0.3282 -0.2682 -0.2542 -0.2422 -0.2161 -0.2018 -0.1183 -0.1106 -0.0932 -0.0586 -0.0502 -0.0353 -0.0178 -0.0026 0.0071 0.0190 0.0352 0.0588 0.0629 0.0891 0.1055 0.1189 0.1354 0.1704 0.1851 0.1967 0.2271 0.2333 0.2633 0.2818 0.3063 0.3348 0.3693 0.4110 0.4444 0.4987 0.5959 0.6226 0.6412 0.7717 0.7987 0.8080 0.9260 1.0568 1.1006 1.2549 1.3452 1.5550 1.6249 1.6725 1.7322 1.7593 1.7946 1.8467 1.9523 2.0008 2.0555 2.1278 2.1770 2.1829 2.4070 2.7333 3.6659 3.8253 3.9403 4.0240 4.0394 4.6570 4.6732 4.7832 4.8511 4.9556 5.0432 5.2705 5.4140 5.4949 5.5663 5.6002 5.7501 5.7947 5.8381 5.8629 5.8832 5.9395 6.0858 6.1229 6.1759 6.2829 6.3623 6.4589 6.5343 6.5892 6.7011 6.7518 6.8590 6.8959 7.0024 7.0676 7.1223 7.1560 7.2999 7.3260 7.4061 7.4533 7.4757 7.5910 7.6905 7.7115 7.8070 7.8628 7.9271 8.0168 8.0644 8.1835</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="728">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.76385 0.16926 0.11106 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.89200 0.25149 0.09227 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="40"
                          units="nonsi2:ev.angstrom-1">0.059778 -0.015430 -0.326091 -0.110871 0.139919 0.144363 -0.054892 0.186124 -0.315207 0.020367 -0.003529 -0.008765 -0.000358 -0.025993 0.029427 -1.406330 -0.073176 0.072145 -0.019014 -0.000878 -0.128599 0.060091 -0.056451 -0.107864 0.123221 -0.032713 0.258380 1.352887 -0.078563 0.052748 0.029236 0.006325 -0.025595 0.244978 -0.047999 0.012374 -0.157446 -0.030356 0.282644 0.020986 -0.002633 -0.096543 0.040624 -1.510140 -0.597625 0.055409 -0.047326 0.346852 -0.068152 -0.183783 -0.114351 0.015017 1.536297 -0.578255 0.131772 0.036761 0.541475 -0.324550 0.152197 0.004844 -0.052286 0.024191 0.119416 -0.001614 0.003888 -0.041226 -0.067006 0.000594 -0.177108 0.067938 0.045318 0.037406 0.009456 0.015525 -0.092455 -0.031662 0.044804 -0.025893 0.043449 0.095715 -0.074854 0.054151 -0.016526 0.013661 0.015800 -0.028235 -0.134653 0.004948 0.022785 0.003991 -0.034315 -0.007715 -0.070867 -0.108264 -0.037781 -0.062631 -0.085892 -0.080808 -0.146078 -0.082106 0.079083 -0.168423 -0.014820 -0.035185 -0.038381 0.083457 0.075365 -0.156060 0.018088 -0.017841 -1.827490 0.006744 0.021417 -0.057561 0.055367 -0.004011 -0.072474 0.249063 0.024314 -0.049745 -0.009744 -0.009958 -0.050312 0.419706 -0.584268 0.219339 -0.359181 0.036504 -0.072824 -0.455440 -0.125840 0.348167 0.029248 0.065640 0.044732 0.048970 0.037990 -0.093304 -0.018345 -0.013008 0.016005 -0.424712 0.152172 0.172527 0.150984 0.011172 -0.196209 -0.029166 -0.006021 0.110496 -0.064735 0.172422 -0.006632 -0.372113 0.374477 -0.053499 0.412856 0.037479 -0.065464 0.385527 0.014904 0.225771 -0.045208 0.546074 0.553038 -0.041805 0.125697 -0.662675 0.008712 0.011499 0.064066 0.446662 0.228721 0.138733 -0.053012 -0.226407 -0.644671 0.030025 0.089767 0.146521 -0.033219 0.048479 2.202298 0.333519 0.638279 0.505189 -0.044948 -0.023519 -0.008109 0.303966 0.038323 0.037632 0.024381 -0.087684 0.116475 0.198779 -0.174561 -0.449754 -0.016975 0.029505 0.146037 -0.401996 -0.184929 0.147320 0.066443 0.017627 -0.067621 -0.017512 0.015317 0.001994 -0.030338 -0.137175 0.052219 -0.411918 -0.413823 -0.045698 0.049078 -0.031572 0.069816 -0.182149 -0.015821 0.540799 -0.032084 -0.575332 0.476912 -0.324603 -0.103388 -0.186503 0.018695 0.008071 0.060359 0.403316 -0.225563 0.168618 -0.133471 0.163482 -0.602940 0.012665 -0.076132 0.037064 0.015894 -0.022154 0.179155 0.053798 -0.028947 7.079332 -0.083114 0.124568 0.122728 -0.072302 0.181715 -0.298602 0.000085 0.012654 0.013100 0.055867 0.012273 -0.022115 -0.431500 -0.040342 -0.179143 0.014781 -0.096148 -0.017954 -0.024537 -0.003375 0.001117 0.128842 -0.031627 0.254079 0.362559 -0.031849 -0.089448 -0.004746 -0.017287 0.040083 0.246678 -0.036269 0.010715 -0.159609 -0.023723 0.272018 -0.044877 -0.001146 -0.087692 0.029962 -0.435795 -0.326670 0.055752 -0.064582 0.350088 -0.073961 -0.175110 -0.114940 -0.000966 0.500959 -0.313561 0.125854 0.035494 0.524823 -0.326366 0.150000 0.013846 -0.052099 0.017662 0.115859 -0.005602 0.005097 -0.006882 -0.079077 0.009826 -0.151285 0.039398 -0.136685 0.062389 0.014144 -0.001759 -0.222639 -0.126551 0.038835 0.003427 0.049333 0.081820 -0.093704 0.064506 -0.017345 0.022518 0.019752 0.057483 -0.045086 0.115777 0.031113 0.012656 -0.019915 -0.002588 -0.030632 -0.117160 -0.038630 -0.068669 -0.002365 -0.013151 -0.011013 0.013544 0.010365 -0.045223 -0.029841 -0.021934 -0.177248 -0.009950 0.022268 -0.028016 -0.001939 0.029707 -0.511020 0.018910 0.016499 -0.018754 0.058543 0.010941 -0.067130 0.260830 0.011531 -0.056324 -0.009154 0.167692 -0.037165 0.408673 -0.587961 0.221099 -0.086293 -0.003224 0.086978 -0.449604 -0.116213 0.339277 0.019255 0.090462 0.042737 0.061349 0.043323 -0.095486 -0.039872 -0.021672 -0.003465 -0.189909 0.025105 0.094323 0.154612 0.011497 -0.185535 0.001103 0.006407 0.073197 -0.019383 0.225606 0.056921 -0.351548 0.378683 -0.042427 0.188805 0.011538 0.145290 0.368051 0.027749 0.156012 -0.029683 0.321301 0.286760 -0.053760 0.130601 -0.659311 0.026541 0.018774 0.013941 0.211629 0.078298 0.044213 -0.057345 -0.219886 -0.556939 -0.043155 0.077640 -0.392913 -0.039919 0.023816 -5.883867 0.298797 0.654238 0.488635 -0.075671 -0.006500 -0.023524 0.297590 0.030122 0.027650 0.022418 -0.127330 0.090987 0.206862 -0.181737 -0.436122 -0.028185 0.002913 0.062252 -0.074262 -0.082479 0.063675 0.067844 0.016998 -0.058201 -0.006929 0.000333 -0.000744 -0.024694 -0.171162 0.017507 -0.377642 -0.413668 -0.045642 0.101845 -0.011882 0.021566 -0.172293 -0.021163 0.462607 -0.015844 -0.358784 0.221900 -0.334181 -0.109595 -0.179769 0.027497 -0.003544 -0.000759 0.073770 -0.096257 0.086784 -0.133173 0.158506 -0.606757 -0.010547 -0.079212 0.044207 0.023970 -0.031851 0.145077 0.044207 -0.018562 4.432138 -0.083856 0.126758 0.127387 -0.069753 0.183095 -0.301872 0.004428 0.007485 0.006924 0.039124 0.001194 -0.005072 -0.706357 -0.056745 -0.148429 0.006117 -0.073369 -0.045889 0.000350 -0.018612 -0.027898 0.128931 -0.031800 0.255238 0.640619 -0.044684 -0.068435 0.003803 -0.012375 0.025844 0.246396 -0.037253 0.010897 -0.159716 -0.023271 0.274045 -0.027617 -0.002432 -0.092550 0.041030 -0.722758 -0.412714 0.055387 -0.065500 0.349969 -0.073881 -0.176083 -0.114078 0.007194 0.780814 -0.393291 0.125132 0.035653 0.527054 -0.326536 0.148776 0.012925 -0.051831 0.017238 0.117170 -0.004827 0.006818 -0.015200 -0.078566 0.010268 -0.156254 0.052976 -0.088248 0.061325 0.012826 0.003166 -0.185629 -0.104175 0.042462 -0.005760 0.047030 0.083415 -0.091848 0.064153 -0.019171 0.020909 0.018749 0.038679 -0.067713 0.088765 0.031564 0.008065 -0.023700 -0.003640 -0.039682 -0.117129 -0.039056 -0.067034 -0.024678 -0.039340 -0.045594 -0.012328 0.034989 -0.077942 -0.029521 -0.026007 -0.138515 0.014189 0.039406 -0.062817 0.008389 0.016508 -0.835925 0.016779 0.017866 -0.025820 0.058527 0.011866 -0.066184 0.260901 0.012472 -0.054548 -0.010238 0.123607 -0.042518 0.410340 -0.595059 0.216797 -0.163061 0.006279 0.052583 -0.450958 -0.117407 0.340451 0.022951 0.087325 0.043862 0.060795 0.043546 -0.096588 -0.035228 -0.019392 0.002381 -0.283538 0.058753 0.116290 0.153847 0.011308 -0.186652 -0.006413 0.005349 0.080261 -0.030917 0.236524 0.036438 -0.353450 0.378350 -0.044993 0.257379 0.016972 0.112385 0.369802 0.024955 0.172073 -0.031581 0.387606 0.362827 -0.053305 0.130932 -0.660800 0.022642 0.019008 0.026938 0.291930 0.119799 0.068368 -0.056693 -0.220138 -0.555833 -0.024235 0.084816 -0.249499 -0.032818 0.025002 -3.065220 0.298318 0.657977 0.492078 -0.075923 -0.009595 -0.020471 0.300238 0.030133 0.029053 0.023647 -0.121750 0.098203 0.206149 -0.180742 -0.437834 -0.027306 0.007431 0.080104 -0.168787 -0.112945 0.085714 0.067465 0.017324 -0.059726 -0.009082 0.003229 -0.002770 -0.027762 -0.183191 0.028154 -0.377005 -0.413629 -0.046229 0.095761 -0.017458 0.033552 -0.174544 -0.019238 0.476040 -0.021118 -0.422529 0.297799 -0.333612 -0.109799 -0.181832 0.025652 -0.003390 0.015083 0.167397 -0.129791 0.111566 -0.132970 0.158694 -0.608083 -0.006065 -0.078388 0.042933 0.020764 -0.032059 0.153922 0.034215 -0.011276 2.053086 -0.081979 0.123398 0.119555 -0.074534 0.180524 -0.296498 -0.004092 0.013785 0.018687 0.064397 0.013605 -0.023629 -0.213141 -0.027545 -0.197177 0.018578 -0.099703 0.005412 -0.044748 0.014244 0.026467 0.128980 -0.031501 0.252915 0.148611 -0.021030 -0.096951 -0.009156 -0.019565 0.045208 0.246936 -0.034677 0.010727 -0.159973 -0.023787 0.270732 -0.054926 -0.000198 -0.074336 0.022308 -0.213738 -0.256199 0.056050 -0.065308 0.350654 -0.074213 -0.174345 -0.114795 -0.006697 0.269923 -0.245843 0.125577 0.035304 0.523235 -0.326391 0.150708 0.014849 -0.052383 0.017632 0.115119 -0.006077 0.005590 0.002123 -0.079583 0.009933 -0.147205 0.023985 -0.162593 0.061994 0.014838 -0.006307 -0.242285 -0.135490 0.033148 0.013141 0.050464 0.080510 -0.099151 0.064672 -0.016281 0.022066 0.019371 0.068700 -0.021988 0.126224 0.029168 0.018743 -0.013515 -0.001730 -0.025192 -0.117489 -0.038546 -0.069737 0.019824 0.008604 0.013950 0.035661 -0.013348 -0.017088 -0.026593 -0.015751 -0.196190 -0.030645 0.006867 -0.000051 -0.010887 0.038289 -0.303431 0.014066 0.014115 -0.012856 0.058863 0.011614 -0.067333 0.261065 0.010013 -0.057046 -0.007858 0.189205 -0.030714 0.409295 -0.584163 0.222839 -0.020103 -0.013412 0.084890 -0.448671 -0.114217 0.338361 0.017366 0.087803 0.041721 0.061675 0.043476 -0.095114 -0.041070 -0.020698 -0.008049 -0.104924 0.000671 0.077521 0.155128 0.011601 -0.184502 0.006674 0.009053 0.061849 -0.011996 0.210207 0.075638 -0.353468 0.379145 -0.044016 0.111372 0.006359 0.143248 0.366677 0.025373 0.142130 -0.025243 0.238424 0.183546 -0.054063 0.130978 -0.658563 0.031050 0.013704 0.003941 0.140239 0.044212 0.032809 -0.058009 -0.220016 -0.553139 -0.053206 0.066960 -0.487612 -0.013439 0.004922 -0.876738 0.298141 0.652596 0.485590 -0.078918 -0.003932 -0.026728 0.295788 0.029294 0.026396 0.022299 -0.124730 0.078088 0.207278 -0.182842 -0.436345 -0.027574 -0.000654 0.046841 -0.002169 -0.057151 0.045015 0.067917 0.016723 -0.057174 -0.003688 -0.001849 0.003518 -0.022010 -0.156661 0.007858 -0.377416 -0.413724 -0.045208 0.106126 -0.008485 0.013774 -0.170593 -0.019664 0.449806 -0.011274 -0.269452 0.123503 -0.334547 -0.110143 -0.178486 0.027073 -0.002806 -0.012910 0.004641 -0.067806 0.068165 -0.133174 0.158356 -0.607000 -0.015111 -0.077755 0.043548 0.027612 -0.027349 0.128019 0.020070 -0.002481 0.509039 -0.080327 0.121640 0.112446 -0.078305 0.178322 -0.292263 -0.010607 0.019098 0.029539 0.087071 0.022242 -0.037310 0.198256 -0.000026 -0.221689 0.027583 -0.121500 0.046736 -0.084679 0.045326 0.070570 0.128796 -0.031360 0.250630 -0.266147 0.002019 -0.108979 -0.019049 -0.025648 0.060774 0.247044 -0.032408 0.010651 -0.160138 -0.024229 0.267763 -0.079326 0.001326 -0.055927 0.003436 0.213656 -0.114493 0.056591 -0.065352 0.350382 -0.074546 -0.173047 -0.115434 -0.012725 -0.157635 -0.114865 0.125613 0.035012 0.519728 -0.325782 0.151897 0.015762 -0.052992 0.017854 0.113090 -0.006532 0.004483 0.016323 -0.080482 0.008880 -0.140796 -0.000206 -0.222397 0.063642 0.015634 -0.014438 -0.290781 -0.162214 0.025471 0.029144 0.053095 0.078302 -0.106573 0.064986 -0.014573 0.022480 0.019262 0.094830 0.014813 0.158149 0.027999 0.028455 -0.004885 0.000207 -0.013214 -0.117725 -0.037953 -0.072054 0.058623 0.049552 0.064337 0.076415 -0.056076 0.034368 -0.020901 -0.005993 -0.243051 -0.071238 -0.023411 0.053840 -0.027861 0.059394 0.155843 0.012160 0.011972 -0.001154 0.058908 0.011446 -0.068624 0.260510 0.007710 -0.059164 -0.005545 0.240877 -0.018544 0.408405 -0.575843 0.228993 0.100813 -0.030761 0.105537 -0.446929 -0.111570 0.336739 0.012197 0.085619 0.039578 0.062073 0.043313 -0.093723 -0.045455 -0.023109 -0.017919 0.051201 -0.051054 0.041336 0.156172 0.011859 -0.182389 0.015462 0.012761 0.043191 -0.001423 0.183755 0.113049 -0.353500 0.379700 -0.043476 -0.013385 -0.004193 0.150267 0.364261 0.025426 0.120299 -0.012100 0.115177 0.024146 -0.054521 0.131100 -0.656540 0.036616 0.009128 -0.018368 0.007256 -0.024116 0.000024 -0.059314 -0.219820 -0.549923 -0.079567 0.046742 -0.724877 0.013280 -0.016742 0.526022 0.297888 0.647901 0.479892 -0.077207 0.003606 -0.031625 0.292250 0.028510 0.024097 0.018385 -0.128878 0.058137 0.208027 -0.184850 -0.434986 -0.026933 -0.003602 0.016444 0.134536 -0.014947 0.007342 0.068160 0.016149 -0.055100 0.001429 -0.006940 0.007561 -0.016531 -0.129479 -0.011497 -0.377884 -0.413775 -0.044632 0.114507 -0.000813 -0.002730 -0.167710 -0.019946 0.428376 -0.002799 -0.144421 -0.021871 -0.335158 -0.110580 -0.175729 0.027848 -0.001588 -0.036390 -0.126872 -0.011366 0.036659 -0.133366 0.158027 -0.605809 -0.023423 -0.074171 0.041111 0.033320 -0.017195 0.113342 0.016724 -0.001283 0.434664 -0.077495 0.122778 0.109841 -0.080474 0.179580 -0.295331 -0.010142 0.011249 0.028220 0.068137 0.012468 -0.031656 0.180845 0.007966 -0.200738 0.021169 -0.090603 0.033696 -0.067850 0.033748 0.064890 0.129730 -0.031273 0.250437 -0.244656 0.006853 -0.105286 -0.014154 -0.021506 0.049288 0.247853 -0.030462 0.010110 -0.162390 -0.023630 0.271295 -0.070265 0.001136 -0.051231 0.003379 0.191993 -0.086629 0.057121 -0.068391 0.351733 -0.076245 -0.176360 -0.113685 -0.012727 -0.150246 -0.088665 0.123879 0.035219 0.519681 -0.326782 0.151910 0.015673 -0.053427 0.017438 0.113076 -0.006757 0.009943 0.019081 -0.081257 0.010360 -0.138864 -0.006184 -0.194732 0.057225 0.014860 -0.013725 -0.258688 -0.139123 0.020979 0.029250 0.052074 0.079634 -0.116089 0.066078 -0.016066 0.019093 0.018471 0.085047 0.010317 0.130826 0.024833 0.029942 0.000766 -0.000283 -0.013722 -0.118448 -0.038787 -0.071280 0.049673 0.037746 0.057620 0.063057 -0.045369 0.034340 -0.018202 0.000686 -0.207418 -0.057624 -0.019475 0.053252 -0.020804 0.048121 0.092172 0.003297 0.011611 0.001391 0.060212 0.014982 -0.065589 0.262211 0.006393 -0.058268 -0.004002 0.204461 -0.014088 0.414805 -0.583349 0.226727 0.076849 -0.028846 0.100055 -0.447033 -0.108693 0.338768 0.009968 0.075830 0.037947 0.062274 0.044162 -0.093707 -0.040081 -0.017683 -0.013536 0.068175 -0.046738 0.034362 0.156569 0.012008 -0.180600 0.015824 0.014843 0.036309 0.003791 0.151013 0.102298 -0.362668 0.380313 -0.051078 -0.002265 -0.005540 0.127538 0.364005 0.012762 0.113619 -0.011207 0.132875 0.010336 -0.054568 0.132459 -0.656897 0.034828 0.008151 -0.012965 -0.012823 -0.026100 -0.001331 -0.060523 -0.220445 -0.536036 -0.067108 0.037613 -0.631022 0.016289 -0.017936 0.572933 0.297071 0.653858 0.479698 -0.081802 0.004355 -0.029761 0.310786 0.027955 0.024008 0.018020 -0.122393 0.045417 0.207975 -0.184505 -0.437597 -0.022165 -0.001027 0.017164 0.120317 -0.013941 -0.001435 0.068193 0.016117 -0.054727 0.002433 -0.004407 0.010416 -0.011238 -0.102725 -0.008167 -0.377216 -0.413551 -0.044368 0.113797 -0.002231 -0.003741 -0.185758 -0.010698 0.421452 -0.001974 -0.154521 -0.024689 -0.335110 -0.111971 -0.176425 0.024457 -0.002985 -0.029844 -0.115022 -0.005117 0.027733 -0.133473 0.158058 -0.609305 -0.020680 -0.073747 0.040007 0.034934 -0.008167 0.091386 0.006133 0.001238 0.210219 -0.069022 0.122323 0.103375 -0.079270 0.176990 -0.304776 -0.008500 -0.016092 0.029066 0.016213 -0.018675 -0.013777 0.120631 0.012674 -0.125668 0.004832 0.003011 -0.000879 -0.024944 0.009791 0.045683 0.132544 -0.030675 0.250145 -0.165442 0.009797 -0.088341 0.006667 -0.014690 0.011894 0.250691 -0.025393 0.009182 -0.161593 -0.021823 0.265937 -0.035542 -0.000312 -0.038302 0.006796 0.131151 -0.001197 0.057928 -0.077815 0.355210 -0.073980 -0.170549 -0.108234 -0.012869 -0.126639 -0.007259 0.118737 0.034862 0.518427 -0.330397 0.149169 0.016049 -0.054039 0.015792 0.112177 -0.003509 0.026926 0.033166 -0.085509 0.012168 -0.138491 -0.009326 -0.100086 0.048932 0.011758 -0.011701 -0.162207 -0.073949 0.011251 0.028419 0.042812 0.077700 -0.150794 0.062788 -0.013781 0.009460 0.011738 0.055970 0.003255 0.052875 0.016848 0.033927 0.017493 0.001096 -0.010996 -0.120739 -0.037752 -0.072826 0.023845 0.005542 0.041609 0.025110 -0.011137 0.034034 -0.011374 0.018087 -0.103964 -0.017067 -0.006016 0.051651 -0.000840 0.016328 -0.079392 -0.023593 0.010673 0.009223 0.060637 0.025805 -0.064708 0.267422 0.002436 -0.055659 0.001252 0.097522 -0.001579 0.432350 -0.574236 0.218403 0.009474 -0.021980 0.083677 -0.447629 -0.099901 0.344598 0.003535 0.051208 0.032686 0.062985 0.046776 -0.094907 -0.028444 -0.002901 -0.001210 0.069913 -0.037455 0.018227 0.156930 0.012101 -0.175200 0.016509 0.016198 0.014245 0.008350 0.098110 0.065441 -0.389708 0.382778 -0.072887 0.028313 -0.009348 0.053779 0.364203 -0.025468 0.091177 -0.006525 0.189094 -0.028878 -0.054912 0.136239 -0.657848 0.030470 0.005270 -0.000325 -0.034558 -0.029560 -0.012716 -0.063400 -0.222430 -0.495564 -0.029654 0.015416 -0.370552 0.024418 -0.020365 0.721303 0.294408 0.649247 0.479132 -0.100573 0.003135 -0.024207 0.287110 0.020437 0.026044 0.013374 -0.104232 0.007710 0.208092 -0.189306 -0.438330 -0.012820 0.004708 0.014790 0.072260 0.000931 -0.023746 0.067822 0.016199 -0.053770 0.004368 0.004573 0.017691 0.000653 -0.066343 -0.002457 -0.374071 -0.414155 -0.044582 0.115831 -0.006408 -0.009119 -0.159768 0.017649 0.399643 -0.000382 -0.189280 -0.023578 -0.334986 -0.115666 -0.176295 0.016751 -0.006926 -0.015778 -0.077999 0.009558 0.001082 -0.133461 0.157677 -0.618974 -0.013194 -0.075606 0.034486 0.036569 0.012251 0.024819 -0.015586 0.005677 -0.217810 -0.052191 0.124389 0.089746 -0.082180 0.175630 -0.323764 -0.003434 -0.069741 0.024382 -0.089974 -0.075320 0.011022 0.009972 0.050097 0.057985 -0.027338 0.188894 -0.069502 0.062792 -0.041111 0.013131 0.138983 -0.029765 0.249497 -0.012566 0.026541 -0.055016 0.044640 -0.000910 -0.061141 0.257519 -0.014279 0.007436 -0.164381 -0.018350 0.264380 0.037655 -0.001694 -0.014638 0.006931 0.014259 0.182576 0.060190 -0.097086 0.362686 -0.075422 -0.168089 -0.097034 -0.013690 -0.078423 0.165302 0.108586 0.034553 0.515838 -0.337791 0.144705 0.016904 -0.055605 0.012532 0.110667 0.002160 0.060485 0.058566 -0.092837 0.018349 -0.134131 -0.024001 0.069324 0.023420 0.004751 -0.012138 0.023215 0.057585 -0.009583 0.027012 0.028097 0.077890 -0.258477 0.060056 -0.014028 -0.010306 0.000937 -0.003584 -0.012222 -0.107910 -0.000273 0.043181 0.052246 0.002900 -0.007319 -0.125682 -0.037470 -0.072727 -0.023218 -0.064100 0.005955 -0.053001 0.053951 0.033352 0.011649 0.060974 0.092874 0.063217 0.021361 0.050112 0.039515 -0.046400 -0.341870 -0.077116 0.008049 0.026230 0.063356 0.047458 -0.057739 0.278146 -0.006191 -0.049916 0.012151 -0.137163 0.019878 0.468348 -0.582779 0.205609 -0.118105 -0.018072 0.045255 -0.448685 -0.082012 0.356478 -0.007753 -0.003640 0.022628 0.064439 0.051945 -0.096236 0.002128 0.025785 0.022293 0.111258 -0.018624 -0.018580 0.158350 0.012449 -0.163938 0.017549 0.018227 -0.041158 0.012406 -0.039780 -0.008578 -0.444303 0.387199 -0.118356 0.075495 -0.016789 -0.133776 0.364582 -0.105893 0.045386 0.000444 0.302185 -0.111401 -0.055298 0.144008 -0.659444 0.024483 0.000996 0.023740 -0.109584 -0.035396 -0.030571 -0.069312 -0.226186 -0.412086 0.039344 -0.037660 0.123005 0.038477 -0.016927 1.037008 0.290218 0.661465 0.478054 -0.135153 0.001227 -0.020352 0.282949 0.008032 0.028038 0.006950 -0.060798 -0.070194 0.208573 -0.197186 -0.443205 0.008674 0.012724 0.011873 -0.024541 0.024011 -0.070051 0.067123 0.015979 -0.051653 0.007421 0.020149 0.033642 0.021311 0.061581 0.014730 -0.368535 -0.414720 -0.044383 0.130109 -0.014669 -0.018704 -0.151327 0.075516 0.351591 -0.005546 -0.246972 -0.032360 -0.334762 -0.123674 -0.176916 0.002796 -0.013349 0.014894 -0.007950 0.038731 -0.057838 -0.133190 0.156960 -0.640986 0.001242 -0.082512 0.023451 0.042166 0.046146 -0.108647 -0.011528 0.000570 0.901839 -0.047964 0.122950 0.083461 -0.082688 0.174491 -0.322679 -0.001356 -0.032276 0.019701 -0.079504 -0.042700 0.020254 0.004726 0.042510 0.084211 -0.024410 0.144615 -0.068633 0.062999 -0.043146 0.006527 0.140007 -0.029904 0.249860 0.009655 0.022812 -0.038240 0.031113 0.004054 -0.046451 0.256074 -0.010822 0.010082 -0.163261 -0.017643 0.263234 0.033569 0.000878 -0.002618 0.006402 0.017983 0.178764 0.060683 -0.101443 0.362303 -0.071890 -0.167018 -0.097026 -0.012451 -0.071015 0.167618 0.105909 0.034409 0.514812 -0.336216 0.143206 0.016789 -0.056056 0.011485 0.110664 0.003970 0.051785 0.048082 -0.092972 0.015473 -0.130213 -0.015664 0.097046 0.020847 0.005460 -0.009128 0.053633 0.070552 -0.011106 0.022019 0.024637 0.080081 -0.292296 0.055838 -0.013461 -0.010601 -0.002458 -0.006732 -0.008447 -0.113669 -0.005686 0.037225 0.042114 0.003381 -0.002577 -0.126521 -0.036665 -0.074446 -0.025016 -0.058822 0.002940 -0.049032 0.048570 0.028259 0.017734 0.056782 0.109680 0.060173 0.024643 0.041655 0.036059 -0.044449 -0.316049 -0.069197 0.005015 0.019228 0.062952 0.052353 -0.057745 0.276841 -0.010140 -0.047558 0.009655 -0.157723 0.024496 0.474779 -0.571645 0.202366 -0.099624 -0.019283 0.043771 -0.448687 -0.083418 0.361174 -0.007869 -0.011618 0.017498 0.064126 0.053047 -0.096173 0.003412 0.017364 0.019983 0.086882 -0.012636 -0.022782 0.159008 0.012363 -0.160640 0.007144 0.001827 -0.048135 0.010535 -0.051655 -0.022774 -0.452391 0.387023 -0.128285 0.061888 -0.017121 -0.139717 0.364865 -0.122491 0.039079 0.004456 0.289759 -0.083269 -0.054804 0.145953 -0.659462 0.017394 0.001706 0.017336 -0.102636 -0.032559 -0.030547 -0.071245 -0.226822 -0.393012 0.047947 -0.025908 0.153916 0.021221 -0.007807 -0.160771 0.290447 0.651970 0.480551 -0.130798 -0.002301 -0.019215 0.277319 0.007447 0.033466 0.007054 -0.048493 -0.071231 0.208306 -0.199258 -0.440219 0.010971 0.001733 0.005138 -0.040533 0.031299 -0.068817 0.067072 0.015724 -0.051837 0.006973 0.009492 0.029997 0.017770 0.057764 0.016264 -0.368102 -0.414285 -0.042792 0.136477 -0.015169 -0.021401 -0.145087 0.086606 0.345705 -0.002160 -0.240496 -0.009095 -0.334116 -0.125900 -0.176970 -0.001828 -0.009357 0.013502 0.011380 0.044819 -0.059198 -0.133033 0.156919 -0.646088 0.006287 -0.054764 0.019282 0.033931 0.034961 -0.129202 -0.010630 -0.000796 1.184885 -0.047458 0.117664 0.075943 -0.078257 0.170067 -0.322606 -0.000038 -0.023963 0.017921 -0.077336 -0.035611 0.023867 -0.001798 0.034886 0.091526 -0.024610 0.135473 -0.067719 0.063233 -0.043616 0.000044 0.139882 -0.029907 0.249749 0.024749 0.019327 -0.033552 0.028732 0.002911 -0.043060 0.256644 -0.010768 0.010970 -0.151979 -0.017427 0.256483 0.034735 0.000948 -0.000039 0.009173 0.020786 0.178326 0.059638 -0.101765 0.362355 -0.061667 -0.159759 -0.096890 -0.011818 -0.069129 0.168046 0.105531 0.034263 0.514489 -0.336919 0.142664 0.018080 -0.055572 0.011201 0.110001 0.008637 0.050234 0.048275 -0.095180 0.007444 -0.133155 -0.002948 0.111810 0.029941 0.005338 -0.008366 0.059649 0.070428 -0.009551 0.020159 0.018434 0.078059 -0.298784 0.049668 -0.009633 -0.010152 -0.007628 -0.006937 -0.003707 -0.113941 -0.005699 0.035199 0.039125 0.007245 0.002897 -0.126977 -0.031407 -0.079549 -0.026130 -0.057760 0.005308 -0.048197 0.047101 0.026983 0.019043 0.054500 0.116379 0.059939 0.026447 0.043588 0.035281 -0.043853 -0.311041 -0.067018 0.005163 0.017627 0.057122 0.053399 -0.059772 0.276648 -0.010760 -0.046972 0.008674 -0.160095 0.025590 0.477821 -0.529875 0.198356 -0.095827 -0.017910 0.047081 -0.449256 -0.083949 0.361706 -0.008489 -0.011887 0.017771 0.063909 0.054218 -0.096143 0.001749 0.015537 0.019062 0.046319 -0.015205 -0.023036 0.159115 0.012437 -0.160579 0.005183 -0.000674 -0.048485 0.006298 -0.030443 -0.028434 -0.455456 0.387507 -0.130822 0.057999 -0.017048 -0.141335 0.365545 -0.127143 0.032837 0.006801 0.289649 -0.074632 -0.055111 0.146480 -0.659581 0.018016 0.002135 0.016155 -0.075810 -0.032294 -0.034237 -0.072232 -0.227210 -0.390323 0.047496 -0.025328 0.158810 0.020340 -0.007336 -0.447520 0.286975 0.613131 0.480423 -0.131177 -0.002356 -0.019976 0.258626 0.006301 0.034996 0.005837 -0.045850 -0.073461 0.206772 -0.202955 -0.411590 0.010553 0.001002 -0.022830 -0.049545 0.034501 -0.070691 0.066817 0.015558 -0.052207 0.007452 0.007416 0.029934 0.016264 0.027434 0.015441 -0.366892 -0.414656 -0.042906 0.140572 -0.015860 -0.022007 -0.126332 0.090379 0.339642 -0.002073 -0.242707 -0.000531 -0.334505 -0.126352 -0.176594 -0.002310 -0.008469 0.012587 0.019258 0.047195 -0.061159 -0.133380 0.156766 -0.647081 0.006219 -0.049408 0.017970 0.031906 0.032481 -0.133891 -0.012303 -0.001204 1.092803 -0.044906 0.122860 0.080253 -0.084730 0.174731 -0.319405 0.002892 0.009611 0.014085 -0.057091 -0.009027 0.025194 0.011434 0.034512 0.084380 -0.021436 0.078507 -0.058270 0.053398 -0.037665 -0.006027 0.140396 -0.029951 0.250635 0.018921 0.020213 -0.023743 0.017885 0.005935 -0.024932 0.254478 -0.007471 0.013731 -0.164166 -0.016967 0.263998 0.023509 0.003160 0.009404 0.002682 0.031480 0.150689 0.061043 -0.104936 0.362511 -0.072003 -0.167120 -0.097114 -0.011505 -0.068004 0.147369 0.103273 0.034440 0.514273 -0.334326 0.142200 0.017394 -0.056827 0.010691 0.111471 0.004304 0.039155 0.032388 -0.092597 0.014961 -0.125551 -0.011640 0.105028 0.013833 0.006453 -0.005867 0.070080 0.073869 -0.011833 0.015922 0.023785 0.083989 -0.317436 0.052957 -0.013660 -0.008347 -0.004186 -0.004294 -0.001361 -0.103714 -0.010456 0.028682 0.027452 0.002925 -0.000939 -0.127292 -0.036616 -0.074247 -0.020250 -0.045914 -0.000202 -0.035243 0.035714 0.021898 0.022977 0.046315 0.109825 0.046638 0.025087 0.029975 0.027600 -0.032875 -0.266270 -0.055903 0.002644 0.008891 0.063211 0.056480 -0.056849 0.274095 -0.013811 -0.044601 0.006444 -0.157121 0.027413 0.478167 -0.577373 0.201506 -0.058718 -0.020042 0.041799 -0.448730 -0.086948 0.365271 -0.007664 -0.017485 0.010317 0.063178 0.053211 -0.096190 0.003152 0.008437 0.015762 0.076431 -0.009745 -0.022069 0.160044 0.012397 -0.158028 -0.005259 -0.015119 -0.049816 0.009717 -0.065387 -0.025393 -0.456546 0.386572 -0.136498 0.028486 -0.017059 -0.127852 0.364696 -0.134744 0.032763 0.012638 0.248625 -0.047558 -0.054164 0.147750 -0.659496 0.012065 0.002217 0.007604 -0.100793 -0.030271 -0.023850 -0.073722 -0.227458 -0.377079 0.048445 -0.010650 0.146182 0.017362 -0.010204 -0.396996 0.291959 0.658022 0.484330 -0.123398 -0.005919 -0.018555 0.273623 0.008804 0.038472 0.004200 -0.031223 -0.065383 0.207795 -0.200373 -0.440704 0.012277 -0.013222 0.003442 -0.046196 0.037148 -0.059725 0.066869 0.015622 -0.052055 0.006773 -0.001648 0.024461 0.010646 0.058647 0.014605 -0.368551 -0.413519 -0.040997 0.141804 -0.018751 -0.021486 -0.141762 0.094883 0.339950 0.000927 -0.207294 0.015698 -0.333518 -0.127850 -0.177026 -0.006374 -0.003344 0.008364 0.023148 0.049156 -0.051543 -0.132973 0.157108 -0.650431 0.009766 -0.020469 0.016605 0.024624 0.021648 -0.140203 -0.015428 -0.003483 0.813280 -0.037822 0.122074 0.069231 -0.090118 0.175889 -0.310848 0.015346 0.112253 -0.005144 0.001541 0.078522 0.031875 0.029018 0.008303 0.079627 -0.010653 -0.079473 -0.022055 0.021179 -0.018016 -0.016163 0.141551 -0.030252 0.251618 0.019662 0.009229 0.007315 -0.008875 0.010422 0.028083 0.251190 -0.000046 0.021920 -0.161955 -0.015511 0.268305 -0.004367 0.008413 0.040398 -0.004283 0.066042 0.068000 0.062158 -0.112378 0.362201 -0.070076 -0.169891 -0.098470 -0.007878 -0.062632 0.084253 0.097985 0.034764 0.512840 -0.328967 0.140981 0.018711 -0.057963 0.008979 0.112992 0.005319 0.005427 -0.007714 -0.090442 0.010869 -0.115771 -0.000846 0.116021 -0.002232 0.008923 0.000417 0.100630 0.074455 -0.012477 0.001538 0.023396 0.096048 -0.374432 0.046818 -0.015346 -0.002473 -0.007608 0.004330 0.017962 -0.069471 -0.020848 0.007636 -0.009990 0.002212 0.004089 -0.128441 -0.034962 -0.074906 -0.003537 -0.005946 -0.006725 0.007024 -0.000652 0.005951 0.035914 0.016501 0.100322 0.005174 0.021358 -0.000114 -0.000097 -0.000057 -0.127487 -0.020472 -0.002334 -0.015019 0.062613 0.065462 -0.053771 0.267344 -0.022048 -0.038342 -0.001259 -0.142434 0.031162 0.486985 -0.585637 0.197577 0.046741 -0.020166 0.036278 -0.448144 -0.095529 0.374013 -0.005123 -0.031469 -0.004904 0.061602 0.054947 -0.096702 -0.002948 -0.014392 0.004941 0.051183 -0.003151 -0.015558 0.161274 0.012318 -0.152811 -0.033365 -0.052180 -0.053658 0.010222 -0.089703 -0.032581 -0.464204 0.385023 -0.152590 -0.056561 -0.014517 -0.086288 0.364824 -0.158443 0.018584 0.029338 0.122635 0.037113 -0.052395 0.151078 -0.660308 -0.002116 0.000885 -0.016833 -0.090625 -0.022100 -0.003398 -0.077107 -0.229220 -0.345202 0.035910 0.027291 0.104877 0.008156 -0.013708 -0.220377 0.294657 0.664043 0.492327 -0.095889 -0.009291 -0.017285 0.284605 0.012337 0.049506 -0.002319 0.007867 -0.048899 0.206071 -0.203898 -0.426226 0.014393 -0.044754 -0.012886 -0.056694 0.048324 -0.030867 0.066910 0.015580 -0.054204 0.006907 -0.026374 0.010106 -0.007116 0.049155 0.012486 -0.368976 -0.411210 -0.037243 0.140855 -0.015473 -0.011331 -0.153671 0.110776 0.326408 0.009345 -0.130607 0.072421 -0.331485 -0.131561 -0.179080 -0.015246 0.010405 -0.003672 0.045204 0.057160 -0.030651 -0.132301 0.157583 -0.660539 0.020099 0.060000 0.007771 0.004943 -0.009756 -0.158588 -0.014330 -0.009852 0.274568 -0.024798 0.121772 0.055242 -0.098167 0.177388 -0.294739 0.033250 0.317489 -0.037875 0.121329 0.239457 0.047740 0.041135 -0.043356 0.071128 0.014766 -0.398155 0.062867 -0.048426 0.026129 -0.035570 0.144185 -0.030433 0.254170 0.045006 -0.016054 0.094879 -0.066074 0.019638 0.137705 0.245322 0.012473 0.037438 -0.165306 -0.012899 0.270263 -0.057932 0.019369 0.098420 -0.019377 0.134723 -0.076259 0.064298 -0.125603 0.361049 -0.067417 -0.169808 -0.103497 0.001290 -0.055777 -0.035458 0.088153 0.035270 0.510765 -0.318949 0.138697 0.019620 -0.060562 0.006461 0.115487 0.004683 -0.060825 -0.093615 -0.087148 0.004190 -0.096965 0.023546 0.140199 -0.036247 0.013298 0.011503 0.169314 0.076034 -0.013597 -0.027023 0.022043 0.124489 -0.508438 0.032450 -0.017242 0.009090 -0.013573 0.014470 0.058246 -0.003385 -0.040773 -0.033368 -0.083786 -0.002495 0.014566 -0.131136 -0.034804 -0.076806 0.034824 0.071330 -0.025317 0.094954 -0.079268 -0.029980 0.059930 -0.050744 0.084142 -0.079515 0.015843 -0.068568 -0.058896 0.097314 0.136049 0.051295 -0.014779 -0.066826 0.064525 0.082066 -0.050889 0.253740 -0.036024 -0.028006 -0.019940 -0.112296 0.044590 0.504271 -0.594402 0.192114 0.273610 -0.024095 0.017879 -0.447928 -0.114427 0.392002 -0.000750 -0.072270 -0.038660 0.058368 0.055922 -0.097638 -0.012006 -0.063976 -0.015094 0.000136 0.013429 -0.011465 0.163817 0.012021 -0.144388 -0.085652 -0.123761 -0.061401 0.012753 -0.133212 -0.043108 -0.481014 0.382594 -0.184275 -0.235061 -0.014017 -0.013729 0.366144 -0.203082 -0.011703 0.043854 -0.186258 0.198576 -0.049238 0.157368 -0.661971 -0.026041 0.004603 -0.057013 -0.068584 -0.002609 0.034051 -0.084243 -0.233626 -0.288072 0.017251 0.106369 0.034233 0.000170 -0.024470 0.128947 0.301452 0.676861 0.508343 -0.042429 -0.020499 -0.015509 0.268720 0.021103 0.074082 -0.013379 0.100059 -0.010219 0.204783 -0.207235 -0.432483 0.014567 -0.106749 -0.011233 -0.078249 0.075329 0.021477 0.066791 0.016036 -0.057936 0.003973 -0.081116 -0.013499 -0.040714 0.036667 0.000298 -0.370453 -0.406841 -0.029831 0.147551 -0.007561 0.000025 -0.139184 0.141072 0.298903 0.021647 0.068639 0.184688 -0.328447 -0.137787 -0.182431 -0.031055 0.038029 -0.026341 0.096465 0.073609 0.009390 -0.131179 0.159392 -0.680843 0.031206 0.205995 -0.024760 -0.043259 -0.072587 -0.183296 -0.011538 -0.011226 -0.029631 -0.021693 0.121873 0.055206 -0.098100 0.176384 -0.305669 0.015712 0.112916 -0.033673 0.090063 0.099084 0.040930 0.045505 -0.041002 0.072803 0.019792 -0.251948 0.064458 -0.039359 0.031082 -0.041787 0.146478 -0.030152 0.254311 0.027558 -0.012872 0.108767 -0.036036 0.017502 0.102957 0.249191 0.012501 0.036849 -0.165632 -0.012410 0.269169 -0.036246 0.016270 0.079306 -0.015014 0.107790 -0.065377 0.064528 -0.130310 0.363285 -0.067999 -0.162293 -0.088998 0.005487 -0.048148 -0.023110 0.086196 0.035004 0.511261 -0.318883 0.140806 0.028806 -0.060205 0.006384 0.117423 0.006304 -0.050848 -0.084120 -0.091229 0.005692 -0.097921 0.024256 0.116491 -0.039711 0.005971 0.013901 0.159686 0.063265 -0.014613 -0.037274 0.019964 0.121521 -0.522234 0.029956 -0.019636 0.001751 -0.015527 0.013363 0.054185 0.006314 -0.040387 -0.040091 -0.056462 0.003299 0.010293 -0.132559 -0.035135 -0.076687 0.029805 0.053893 -0.033992 0.078087 -0.060438 -0.034208 0.051099 -0.055305 0.079368 -0.068273 0.011518 -0.067581 -0.033068 0.053818 0.146368 0.033175 -0.012384 -0.053177 0.065148 0.086736 -0.048250 0.254733 -0.035415 -0.027849 -0.017364 -0.079371 0.032212 0.509257 -0.582922 0.188017 0.252313 -0.011881 0.010038 -0.447179 -0.105493 0.387315 0.003517 -0.057051 -0.040797 0.058690 0.057251 -0.097802 -0.001826 -0.010131 -0.011216 -0.005369 0.006755 -0.006658 0.164464 0.013349 -0.141541 -0.075310 -0.052202 -0.057035 0.017948 -0.121323 -0.029359 -0.487272 0.384940 -0.182687 -0.231425 -0.009527 0.003853 0.366334 -0.213682 -0.022506 0.031035 -0.174333 0.197021 -0.048859 0.158843 -0.662831 -0.027495 0.002011 -0.050675 -0.048351 0.000232 0.038749 -0.085111 -0.235503 -0.273310 0.012579 0.047358 0.059348 -0.016583 -0.022340 0.365744 0.299539 0.669268 0.512001 -0.036514 -0.018511 -0.006338 0.260928 0.018528 0.074177 -0.010749 0.112397 -0.000852 0.205876 -0.208451 -0.436575 0.016247 -0.050872 -0.004727 -0.054458 0.065851 0.033675 0.066742 0.016254 -0.057080 0.000409 -0.009445 -0.015750 -0.038850 0.029129 0.008553 -0.368063 -0.408047 -0.032928 0.122039 -0.002815 0.002940 -0.129484 0.149996 0.290566 0.018938 0.086844 0.171537 -0.328924 -0.139445 -0.182575 -0.027580 0.030010 -0.019747 0.079447 0.057893 0.016297 -0.130593 0.159148 -0.686612 0.027345 0.160030 -0.008970 -0.047056 -0.046049 -0.169315 -0.001340 -0.017905 -0.693499 -0.015455 0.123027 0.053183 -0.100385 0.175832 -0.333135 -0.026556 -0.356022 -0.025855 0.025171 -0.243174 0.025923 0.045992 -0.035926 0.083276 0.044163 0.073367 0.066776 -0.016716 0.042884 -0.054360 0.151130 -0.029786 0.253143 -0.009280 -0.003987 0.143320 0.025340 0.013603 0.046151 0.256985 0.012468 0.033229 -0.165312 -0.011324 0.268230 0.011814 0.010188 0.029614 -0.008096 0.048675 -0.039274 0.064498 -0.140885 0.366591 -0.071986 -0.147977 -0.057742 0.016016 -0.032844 0.004963 0.081389 0.034607 0.511144 -0.318774 0.146373 0.047914 -0.059937 0.006170 0.120658 0.009694 -0.027234 -0.065152 -0.100408 0.009899 -0.102224 0.025021 0.061402 -0.048801 -0.010593 0.020241 0.134386 0.034582 -0.016794 -0.061823 0.015992 0.114114 -0.561715 0.024650 -0.027164 -0.017271 -0.020458 0.010294 0.041457 0.028389 -0.037951 -0.057142 0.006745 0.015847 -0.003050 -0.136387 -0.035091 -0.076481 0.019316 0.014209 -0.054291 0.038218 -0.015202 -0.045071 0.032376 -0.063060 0.069715 -0.042442 0.001191 -0.063803 0.020275 -0.057201 0.177013 -0.009293 -0.006835 -0.020658 0.065115 0.096853 -0.042355 0.256336 -0.033888 -0.029737 -0.013671 -0.009257 0.001246 0.520507 -0.575822 0.177465 0.211772 0.017506 -0.010279 -0.444576 -0.085458 0.374424 0.013049 -0.025463 -0.047766 0.058749 0.060915 -0.101012 0.019746 0.106882 -0.001375 -0.027327 -0.003925 0.003824 0.165330 0.017274 -0.136824 -0.052719 0.134046 -0.050580 0.031302 -0.086005 0.003597 -0.502311 0.389571 -0.179891 -0.218888 0.002266 0.038322 0.364379 -0.237290 -0.045078 0.003010 -0.148040 0.192425 -0.048469 0.162286 -0.666100 -0.036500 -0.004703 -0.030560 -0.004631 0.004401 0.048529 -0.087168 -0.238529 -0.242440 0.008521 -0.070313 0.124274 -0.038023 -0.019752 0.870885 0.295390 0.666673 0.519076 -0.022280 -0.020251 0.015820 0.258414 0.012823 0.071359 -0.008120 0.144327 0.025031 0.207169 -0.212342 -0.437845 0.018335 0.096703 0.004851 -0.005663 0.040956 0.065143 0.065965 0.015761 -0.057049 -0.005717 0.139024 -0.018761 -0.040294 0.009002 0.025586 -0.363634 -0.410507 -0.041015 0.073011 0.010378 0.016901 -0.124215 0.169977 0.272031 0.018056 0.145726 0.152459 -0.330861 -0.143286 -0.184685 -0.017054 0.012230 -0.004793 0.040684 0.022223 0.035834 -0.129648 0.158149 -0.701520 0.016806 0.046639 0.025057 -0.054217 0.014208 -0.129806 -0.003003 -0.016399 0.041171 -0.014321 0.123978 0.053471 -0.102979 0.174694 -0.340043 -0.030333 -0.376912 -0.024626 0.006913 -0.257049 0.016411 0.046282 -0.028470 0.089447 0.034371 0.163943 0.052544 -0.000218 0.038412 -0.046601 0.152844 -0.029807 0.252519 -0.027883 0.000220 0.149859 0.038153 0.007547 0.029100 0.262279 0.011650 0.030201 -0.166540 -0.010864 0.270575 0.019111 0.004079 0.008169 -0.006425 0.025786 -0.002508 0.064833 -0.144023 0.368845 -0.076029 -0.148245 -0.054595 0.018666 -0.023592 0.033196 0.080425 0.034693 0.511415 -0.320379 0.148605 0.048965 -0.060040 0.005538 0.121620 0.005260 -0.021645 -0.047891 -0.104793 0.009970 -0.099560 0.017528 0.032484 -0.053452 -0.015108 0.020962 0.109766 0.023602 -0.017690 -0.066816 0.016454 0.112965 -0.566468 0.024310 -0.030545 -0.019949 -0.014820 0.009204 0.034421 0.027827 -0.034435 -0.061310 0.020608 0.013404 -0.005284 -0.137720 -0.035509 -0.075188 0.012097 -0.002489 -0.056864 0.018349 0.002949 -0.041706 0.023974 -0.055356 0.056555 -0.024866 -0.004923 -0.059803 0.039567 -0.081707 0.181506 -0.012902 -0.004650 -0.004821 0.065626 0.099730 -0.037624 0.258994 -0.031470 -0.030440 -0.008234 0.012007 -0.011898 0.522207 -0.585149 0.176027 0.167269 0.024940 -0.011451 -0.445707 -0.087491 0.371129 0.013731 -0.031662 -0.047198 0.059311 0.062007 -0.101100 0.023906 0.103659 0.004922 -0.015828 -0.004976 0.004126 0.165978 0.017754 -0.133947 -0.039782 0.142598 -0.042104 0.033993 -0.077366 0.019858 -0.504996 0.391516 -0.176267 -0.175579 0.005787 0.050223 0.365531 -0.242426 -0.052797 -0.008699 -0.108010 0.167158 -0.048745 0.163230 -0.666527 -0.031727 -0.008885 -0.016695 0.001152 0.006314 0.044298 -0.087509 -0.239535 -0.234179 0.005085 -0.095061 0.148633 -0.039056 -0.025214 0.045019 0.296312 0.674750 0.522717 -0.009081 -0.011571 0.024609 0.271259 0.015732 0.067987 -0.002616 0.148589 0.032242 0.208258 -0.213098 -0.438893 0.013153 0.104193 0.009797 0.017023 0.025777 0.068678 0.065849 0.015523 -0.056449 -0.010155 0.137068 -0.018210 -0.033139 0.022736 0.030467 -0.364582 -0.411932 -0.042736 0.052183 0.015978 0.018262 -0.136272 0.174303 0.262841 0.012952 0.128033 0.134266 -0.332100 -0.144491 -0.185205 -0.009728 0.004834 0.002811 0.016685 0.006446 0.037967 -0.129207 0.158253 -0.706819 0.013163 0.005205 0.041828 -0.051974 0.034599 -0.107598 -0.003972 -0.015270 0.343098 -0.013931 0.123201 0.053966 -0.101245 0.172414 -0.342794 -0.031823 -0.390201 -0.024199 -0.000089 -0.264236 0.012308 0.046089 -0.026560 0.095203 0.028860 0.195860 0.047275 0.007448 0.037023 -0.043705 0.153397 -0.029583 0.252529 -0.031638 0.001045 0.153065 0.042758 0.005442 0.019536 0.263496 0.011281 0.029139 -0.164945 -0.010386 0.267228 0.021102 0.002806 0.000691 -0.003513 0.018402 0.011816 0.064584 -0.145034 0.369242 -0.074291 -0.144032 -0.053413 0.021181 -0.020262 0.045530 0.079992 0.034711 0.511406 -0.320858 0.148828 0.049410 -0.059811 0.005365 0.121837 0.004908 -0.019161 -0.039228 -0.107297 0.008723 -0.100043 0.020117 0.025360 -0.048825 -0.016659 0.021574 0.100497 0.017557 -0.016695 -0.068776 0.014206 0.110743 -0.568775 0.021839 -0.029573 -0.021240 -0.014239 0.009027 0.033099 0.028803 -0.032082 -0.062884 0.026542 0.013571 -0.004319 -0.138233 -0.034609 -0.076371 0.008323 -0.009094 -0.056587 0.009965 0.009557 -0.040826 0.019904 -0.052824 0.052105 -0.018299 -0.006825 -0.057800 0.046779 -0.091867 0.182488 -0.013940 -0.004194 0.001315 0.064760 0.101037 -0.038388 0.259813 -0.030358 -0.030860 -0.005849 0.020419 -0.016822 0.523095 -0.574402 0.173069 0.151932 0.025843 -0.012750 -0.445979 -0.087804 0.369931 0.014282 -0.033653 -0.045716 0.059487 0.062661 -0.101897 0.026440 0.102092 0.007146 -0.030245 -0.005726 0.004635 0.166097 0.018422 -0.132681 -0.036194 0.146268 -0.040999 0.033758 -0.059946 0.024056 -0.506363 0.392797 -0.175015 -0.160559 0.006780 0.053131 0.365898 -0.244663 -0.054741 -0.012709 -0.094574 0.158069 -0.048906 0.163768 -0.666658 -0.030461 -0.009249 -0.011802 0.017266 0.005616 0.040556 -0.087572 -0.239416 -0.231055 0.004287 -0.102608 0.157270 -0.037940 -0.026189 -0.286702 0.295768 0.667145 0.523880 -0.006307 -0.008087 0.026237 0.255507 0.015790 0.067429 -0.000755 0.151035 0.035403 0.208654 -0.214198 -0.438340 0.010295 0.107239 0.011945 0.022355 0.020491 0.070314 0.065621 0.015324 -0.056449 -0.011762 0.136790 -0.018402 -0.029434 0.010238 0.032778 -0.364102 -0.412659 -0.043629 0.044860 0.018863 0.014576 -0.119545 0.176730 0.262360 0.008578 0.119165 0.126891 -0.332612 -0.144517 -0.184844 -0.006123 0.002903 0.004282 0.011296 0.001700 0.040158 -0.128986 0.158148 -0.708143 0.011183 -0.012103 0.047109 -0.051898 0.040442 -0.098330 -0.003764 -0.017012 0.200370 -0.014779 0.122964 0.053944 -0.101765 0.169269 -0.341968 -0.021972 -0.226181 -0.027496 0.006146 -0.152041 0.008866 0.043571 -0.018395 0.092548 0.014014 0.174283 0.040025 0.018850 0.026688 -0.027362 0.153777 -0.029852 0.252157 -0.030283 0.003133 0.143270 0.039815 0.001985 0.021845 0.266356 0.010401 0.026811 -0.164770 -0.010090 0.267343 0.011622 -0.002850 -0.005674 -0.002214 0.003782 0.035480 0.064505 -0.145632 0.370328 -0.074823 -0.146764 -0.061293 0.019837 -0.008693 0.059726 0.080006 0.034767 0.511562 -0.322932 0.148853 0.043824 -0.060028 0.004335 0.121752 -0.001293 -0.022118 -0.022231 -0.110340 0.005394 -0.095951 0.014904 0.011835 -0.045940 -0.015528 0.020253 0.077815 0.011017 -0.015608 -0.065702 0.014143 0.111641 -0.559859 0.020560 -0.029351 -0.017150 -0.006583 0.006777 0.031270 0.021885 -0.026954 -0.062926 0.020194 0.006914 0.000300 -0.138872 -0.034509 -0.076667 0.005028 -0.011300 -0.050145 0.001025 0.011702 -0.033447 0.017212 -0.043025 0.040468 -0.007816 -0.012065 -0.053290 0.050775 -0.072234 0.180010 -0.002881 -0.003539 0.006222 0.064288 0.101502 -0.036708 0.261923 -0.028401 -0.031354 -0.001339 0.023470 -0.022591 0.520711 -0.577028 0.173766 0.115808 0.026699 -0.013861 -0.448158 -0.099196 0.370047 0.011098 -0.051632 -0.042445 0.059793 0.062561 -0.102209 0.023401 0.056333 0.009306 -0.022005 -0.004932 0.005643 0.166594 0.018070 -0.131350 -0.030665 0.076077 -0.037614 0.029833 -0.053173 0.030635 -0.504364 0.393720 -0.172268 -0.122150 0.007761 0.051517 0.367542 -0.243905 -0.055997 -0.017656 -0.062299 0.133103 -0.049534 0.164024 -0.666451 -0.023260 -0.009232 -0.006367 0.018041 0.004558 0.034408 -0.087764 -0.239532 -0.231753 0.002258 -0.088700 0.157773 -0.035083 -0.024391 -0.162023 0.297192 0.668740 0.525680 0.004836 0.002194 0.028893 0.258485 0.021911 0.064264 0.002091 0.143949 0.031448 0.209371 -0.214263 -0.436534 0.002642 0.061626 0.008822 0.029811 0.011509 0.069093 0.065078 0.014405 -0.056601 -0.013981 0.077855 -0.019855 -0.018941 0.016933 0.034242 -0.366442 -0.413811 -0.042794 0.031528 0.019510 0.012168 -0.122152 0.175913 0.260333 0.004692 0.078587 0.103634 -0.333817 -0.144944 -0.184882 -0.000164 0.000621 0.007609 -0.000198 -0.004865 0.039555 -0.128595 0.158116 -0.710330 0.010110 -0.011629 0.054077 -0.045455 0.038527 -0.080864 -0.003500 -0.021610 -0.177553 -0.016525 0.121530 0.055327 -0.102760 0.161060 -0.340480 0.006216 0.204475 -0.032186 0.018296 0.149370 -0.000795 0.031828 0.004575 0.086172 -0.024526 0.112543 0.016296 0.049195 -0.003281 0.016721 0.155468 -0.030013 0.250670 -0.026701 0.002372 0.120889 0.030862 -0.008324 0.021484 0.273107 0.008220 0.019682 -0.164111 -0.008893 0.266336 -0.016734 -0.018223 -0.020030 0.002975 -0.033712 0.102891 0.064920 -0.146950 0.371753 -0.075962 -0.153055 -0.083907 0.017442 0.024538 0.095734 0.080658 0.035083 0.511794 -0.326629 0.149122 0.027148 -0.060019 0.001758 0.121430 -0.016802 -0.029241 0.020790 -0.117277 -0.003018 -0.085762 0.004729 -0.023306 -0.034616 -0.009677 0.016289 0.012930 -0.006675 -0.011807 -0.057456 0.014756 0.113646 -0.537413 0.017465 -0.028080 -0.007055 0.013425 0.000585 0.023912 0.004408 -0.012460 -0.063120 0.003858 -0.010304 0.013033 -0.139954 -0.033586 -0.077494 -0.006705 -0.017639 -0.030103 -0.022802 0.016630 -0.012121 0.008180 -0.015813 0.011564 0.023527 -0.025188 -0.039802 0.061875 -0.019569 0.175293 0.028547 0.000068 0.021593 0.063551 0.103125 -0.033985 0.267719 -0.022935 -0.033310 0.011526 0.032852 -0.036366 0.516308 -0.582412 0.171440 0.013461 0.024549 -0.009503 -0.454144 -0.129059 0.368448 0.003225 -0.102592 -0.034295 0.061277 0.063104 -0.103007 0.013224 -0.077438 0.014140 -0.011843 -0.000078 0.007726 0.168038 0.016664 -0.126685 -0.010683 -0.099253 -0.026040 0.017983 -0.023418 0.045690 -0.499859 0.397060 -0.165374 -0.026020 0.005252 0.052007 0.372984 -0.241992 -0.054734 -0.027774 0.028183 0.042884 -0.050629 0.164646 -0.666331 0.000041 -0.013774 0.011133 0.023095 0.000745 0.016753 -0.086899 -0.239122 -0.233144 -0.001962 -0.044233 0.156450 -0.031280 -0.016268 0.169522 0.302815 0.673079 0.529593 0.028129 0.027899 0.032767 0.258049 0.035920 0.056217 0.010980 0.131987 0.031056 0.211376 -0.215424 -0.436360 -0.019341 -0.060509 0.007060 0.041680 -0.006318 0.069222 0.064708 0.013107 -0.057592 -0.019767 -0.096042 -0.022341 0.009319 0.026724 0.037553 -0.371806 -0.416656 -0.041481 -0.006448 0.023459 0.007697 -0.119492 0.174603 0.260829 -0.005023 -0.033017 0.027803 -0.335801 -0.145228 -0.185417 0.016112 -0.006079 0.015792 -0.026690 -0.025591 0.039307 -0.127445 0.158451 -0.716051 0.005556 -0.008339 0.072166 -0.022627 0.036572 -0.024789 -0.006085 -0.019559 0.096279 -0.017495 0.122142 0.056956 -0.103790 0.161995 -0.347915 0.004722 0.166800 -0.027809 0.008466 0.130160 -0.000793 0.011461 0.005248 0.073042 -0.020907 0.048319 0.018093 0.045467 -0.007947 0.024510 0.156354 -0.030000 0.251040 -0.014790 0.003740 0.109003 0.022507 -0.002484 0.012893 0.274763 0.009140 0.019858 -0.162700 -0.008475 0.267435 -0.012480 -0.015505 -0.012553 0.001695 -0.034576 0.107020 0.064781 -0.146947 0.372121 -0.076500 -0.154443 -0.083191 0.015169 0.032761 0.088944 0.081221 0.035354 0.511741 -0.328621 0.148736 0.028741 -0.059697 0.001566 0.121646 -0.013972 -0.020591 0.027810 -0.118206 -0.002073 -0.086766 0.002176 -0.027056 -0.025820 -0.004398 0.015401 -0.004744 -0.011634 -0.007910 -0.048454 0.017198 0.115008 -0.510119 0.017237 -0.027271 -0.000368 0.012082 -0.004387 0.020478 -0.001162 -0.006986 -0.058750 0.000840 -0.005677 0.017172 -0.140523 -0.033062 -0.076577 -0.003497 -0.008184 -0.014921 -0.017467 0.009860 -0.003252 0.006163 -0.009403 0.016262 0.023609 -0.023502 -0.020411 0.050506 -0.000866 0.162815 0.027969 0.001259 0.017751 0.062967 0.103658 -0.033013 0.269675 -0.024530 -0.035101 0.013370 0.026436 -0.031310 0.513245 -0.587568 0.173022 0.001832 0.024635 -0.008079 -0.454500 -0.129491 0.363097 0.004164 -0.087667 -0.028249 0.061858 0.064422 -0.102882 0.006752 -0.060938 0.014508 -0.006037 0.003674 0.009315 0.168022 0.017026 -0.126058 -0.000983 -0.084537 -0.013674 0.010203 -0.015821 0.040586 -0.496527 0.397559 -0.161101 -0.002211 0.007046 0.046566 0.373039 -0.238056 -0.050744 -0.022462 0.044082 0.026899 -0.051078 0.165113 -0.665942 0.003749 -0.003290 0.013405 0.021789 -0.000781 0.010758 -0.086103 -0.238842 -0.237011 -0.000976 -0.014299 0.122553 -0.022337 -0.014158 -0.123832 0.300865 0.676237 0.529363 0.030902 0.024003 0.034294 0.262103 0.035798 0.054374 0.008669 0.107176 0.029727 0.211465 -0.216857 -0.432406 -0.022551 -0.052263 0.000808 0.037655 -0.009961 0.064455 0.064724 0.013314 -0.057412 -0.013279 -0.087992 -0.024206 0.019758 0.033960 0.035790 -0.370419 -0.417138 -0.040481 -0.015229 0.016112 0.009585 -0.123112 0.172048 0.265010 -0.003771 -0.058146 0.020465 -0.336499 -0.145483 -0.184955 0.018038 -0.010504 0.016900 -0.027613 -0.026295 0.036431 -0.127077 0.158849 -0.718671 0.003033 0.005391 0.067311 -0.015572 0.017489 -0.009266 -0.009219 -0.016072 0.526943 -0.018997 0.122661 0.059201 -0.103781 0.161834 -0.359583 0.003659 0.116044 -0.018095 -0.009814 0.097769 -0.003921 -0.004301 0.010706 0.055747 -0.017789 -0.045684 0.019795 0.039637 -0.013926 0.035090 0.157851 -0.029751 0.250711 0.000852 0.001049 0.087451 0.007097 0.006627 -0.004486 0.277741 0.010500 0.019881 -0.163447 -0.007793 0.265799 -0.003198 -0.011727 -0.002841 0.000115 -0.036127 0.112778 0.064553 -0.146922 0.372180 -0.075156 -0.154328 -0.082753 0.011849 0.044182 0.079148 0.082122 0.035572 0.510860 -0.331979 0.147330 0.030725 -0.059282 0.001355 0.121184 -0.010487 -0.007997 0.039208 -0.120344 -0.001414 -0.088300 -0.001272 -0.032565 -0.013089 0.005086 0.014260 -0.033596 -0.018821 -0.001794 -0.035397 0.019339 0.115966 -0.471116 0.015582 -0.024629 0.009218 0.011571 -0.011632 0.017018 -0.008021 0.000882 -0.052847 -0.002995 0.000223 0.024135 -0.141500 -0.034034 -0.077159 -0.000578 0.005588 0.007738 -0.011080 -0.000889 0.010818 0.001866 0.000158 0.024894 0.022980 -0.021207 0.007161 0.035735 0.026509 0.148599 0.029051 0.003683 0.011721 0.063865 0.104523 -0.033172 0.272756 -0.026787 -0.038305 0.015381 0.018812 -0.024474 0.508942 -0.576696 0.173426 -0.017920 0.025323 -0.006447 -0.455207 -0.129921 0.354409 0.005383 -0.066714 -0.015709 0.062685 0.065521 -0.103393 -0.002554 -0.036862 0.016202 0.002283 0.010652 0.012418 0.168019 0.017694 -0.126154 0.015568 -0.063064 0.003677 -0.000278 -0.004131 0.032937 -0.491955 0.398022 -0.155019 0.023484 0.006406 0.045017 0.373549 -0.232029 -0.046565 -0.015116 0.067418 0.000260 -0.051761 0.166145 -0.666017 0.011744 0.012523 0.017025 0.018211 -0.002338 0.000774 -0.085300 -0.238588 -0.244264 -0.003782 0.029829 0.078658 -0.017417 -0.015913 -0.572503 0.297683 0.666961 0.528365 0.036276 0.019229 0.036329 0.257544 0.035048 0.053732 0.005688 0.069487 0.025611 0.213175 -0.216187 -0.439300 -0.026321 -0.039516 0.006128 0.031666 -0.014821 0.056187 0.064134 0.013492 -0.058030 -0.003044 -0.076486 -0.027933 0.033584 0.041317 0.033083 -0.368152 -0.417359 -0.039423 -0.022863 0.004875 0.014437 -0.117584 0.168470 0.269056 -0.005603 -0.095825 0.010092 -0.337670 -0.145896 -0.185601 0.021285 -0.016886 0.019562 -0.028197 -0.029277 0.030713 -0.126237 0.159684 -0.723853 0.002810 0.027887 0.063443 -0.003383 -0.008429 0.019804 -0.009444 -0.016836 0.363782 -0.019415 0.123846 0.059751 -0.105064 0.164387 -0.364551 0.000926 0.077998 -0.012688 -0.016512 0.069342 -0.005023 -0.015289 0.013725 0.044083 -0.013631 -0.069560 0.020449 0.029201 -0.013166 0.037533 0.158377 -0.030115 0.250909 0.009489 -0.002970 0.073509 0.001123 0.010904 -0.011489 0.278311 0.010757 0.019820 -0.158890 -0.007674 0.266893 0.002583 -0.009100 0.001592 -0.001040 -0.037019 0.105083 0.064290 -0.147238 0.371879 -0.078215 -0.156043 -0.082156 0.009926 0.046901 0.071427 0.082388 0.035703 0.510306 -0.333118 0.147700 0.032137 -0.058885 0.000981 0.120730 -0.006426 -0.002840 0.039006 -0.120238 0.000430 -0.091557 -0.002250 -0.032660 -0.008847 0.007941 0.014116 -0.040566 -0.020594 0.000355 -0.031023 0.021564 0.117352 -0.455433 0.016471 -0.026008 0.011864 0.008366 -0.015060 0.013477 -0.009368 0.003377 -0.050603 -0.003203 0.003695 0.023847 -0.141838 -0.032639 -0.075993 0.002195 0.011426 0.014519 -0.006671 -0.005295 0.013928 0.000430 0.002142 0.028135 0.020958 -0.019115 0.020334 0.027632 0.031222 0.138512 0.026491 0.003537 0.008610 0.062126 0.104840 -0.032739 0.273913 -0.028086 -0.039793 0.015783 0.015666 -0.021602 0.506609 -0.599503 0.174918 -0.013662 0.026854 -0.005399 -0.455094 -0.129577 0.351471 0.007135 -0.058907 -0.015752 0.062774 0.067134 -0.102252 -0.004945 -0.023629 0.014812 0.004362 0.012799 0.013687 0.168908 0.017138 -0.124890 0.019957 -0.050033 0.007011 -0.000845 -0.005445 0.034645 -0.489382 0.398456 -0.154024 0.023311 0.006454 0.044795 0.372885 -0.230408 -0.043518 -0.010362 0.071660 0.001375 -0.051776 0.166158 -0.665207 0.012507 0.016074 0.015266 0.017803 -0.003026 -0.001479 -0.085623 -0.239208 -0.244153 -0.004713 0.043066 0.067253 -0.016456 -0.013296 -0.400241 0.296448 0.684281 0.529299 0.035356 0.017939 0.038182 0.261468 0.033499 0.051410 0.004833 0.068904 0.026734 0.211979 -0.221152 -0.422633 -0.028793 -0.029350 -0.010913 0.030664 -0.016567 0.053817 0.065563 0.014344 -0.056559 0.000535 -0.063833 -0.032119 0.037359 0.042685 0.032499 -0.367025 -0.418355 -0.038807 -0.020428 0.002237 0.013133 -0.121673 0.167292 0.273189 -0.003244 -0.101203 0.011908 -0.337561 -0.146248 -0.183628 0.023929 -0.017679 0.017058 -0.026736 -0.029185 0.030542 -0.127283 0.160297 -0.723805 0.002935 0.033149 0.061923 -0.002115 -0.012789 0.022401 -0.011685 -0.020164 -0.105810 -0.021252 0.123500 0.064899 -0.103926 0.163208 -0.377844 -0.006570 -0.049345 0.001145 -0.034315 -0.009536 0.002079 -0.035310 0.015805 0.021179 0.001610 -0.142091 0.028042 0.011944 -0.010429 0.044241 0.160076 -0.030074 0.250811 0.027207 -0.005078 0.042570 -0.011317 0.020292 -0.028843 0.280280 0.011923 0.022526 -0.164606 -0.007268 0.264892 0.020085 -0.002101 0.017283 -0.003421 -0.039218 0.087305 0.063906 -0.147916 0.372145 -0.075110 -0.155703 -0.079052 0.006532 0.056485 0.045513 0.083088 0.035492 0.509964 -0.337183 0.144678 0.037847 -0.058691 0.000624 0.120815 -0.000863 0.013053 0.045432 -0.122225 0.002548 -0.092144 -0.003891 -0.033717 0.008658 0.017944 0.012181 -0.061680 -0.028247 0.005450 -0.013062 0.022989 0.115378 -0.408630 0.014465 -0.022635 0.021634 0.004134 -0.024737 0.010884 -0.011296 0.010911 -0.039346 -0.004454 0.011217 0.028982 -0.143261 -0.035815 -0.076725 0.009162 0.029489 0.037840 0.007124 -0.018569 0.026143 -0.003159 0.006054 0.040913 0.014911 -0.015216 0.049624 0.007601 0.045469 0.111442 0.019450 0.005541 0.000237 0.064607 0.105554 -0.033231 0.276819 -0.031233 -0.042468 0.017005 0.005651 -0.008897 0.501960 -0.571251 0.174609 -0.019268 0.029203 -0.009277 -0.455621 -0.126047 0.339558 0.007333 -0.016268 0.001497 0.063733 0.067600 -0.103618 -0.014791 0.021888 0.013695 0.013352 0.019510 0.019413 0.167606 0.017831 -0.125981 0.037334 0.003217 0.028886 -0.013738 0.005020 0.025068 -0.484965 0.398034 -0.147265 0.036297 0.010298 0.038536 0.373045 -0.224392 -0.037027 0.003795 0.075005 -0.013458 -0.053015 0.166572 -0.665829 0.015336 0.029065 0.016641 0.011803 -0.002887 -0.005189 -0.083900 -0.238931 -0.253236 -0.000808 0.084499 0.008373 -0.008827 0.001347 0.086408 0.290131 0.661420 0.528444 0.037772 0.005908 0.037996 0.252020 0.031808 0.052118 0.002398 0.025559 0.015479 0.213945 -0.217546 -0.448930 -0.026086 0.004379 0.009087 0.018216 -0.029292 0.035334 0.064403 0.014262 -0.057932 0.011598 -0.021224 -0.032335 0.050412 0.046527 0.024547 -0.362996 -0.418567 -0.036851 -0.034399 -0.012464 0.015118 -0.110581 0.163660 0.277869 0.003440 -0.109475 0.005386 -0.339330 -0.146827 -0.184829 0.022073 -0.021754 0.017967 -0.022857 -0.029726 0.027250 -0.126241 0.160220 -0.731477 -0.001324 0.045135 0.047338 0.010587 -0.040973 0.059307 -0.011888 -0.020335 -0.141667 -0.021448 0.124439 0.066022 -0.103801 0.162924 -0.379024 -0.007165 -0.059057 0.001936 -0.036396 -0.016055 0.001831 -0.037065 0.017627 0.017578 0.002713 -0.148569 0.027864 0.010105 -0.010371 0.044596 0.160195 -0.029967 0.250669 0.031560 -0.004983 0.039564 -0.012790 0.021193 -0.030973 0.280746 0.012248 0.022613 -0.164087 -0.007057 0.264057 0.021687 -0.001582 0.018684 -0.003584 -0.039302 0.085049 0.063784 -0.148337 0.372101 -0.075845 -0.155227 -0.078935 0.006148 0.057066 0.042537 0.082959 0.035431 0.509480 -0.337583 0.144133 0.038288 -0.058616 0.000394 0.120612 -0.000463 0.014428 0.046314 -0.122488 0.003573 -0.093095 -0.004161 -0.033677 0.009848 0.018643 0.012189 -0.063041 -0.028585 0.006030 -0.012091 0.023200 0.114661 -0.404996 0.014596 -0.022022 0.022372 0.003793 -0.025244 0.011295 -0.011677 0.011635 -0.038918 -0.004733 0.011725 0.028982 -0.143409 -0.036017 -0.076770 0.009887 0.030932 0.040368 0.008286 -0.019674 0.026861 -0.003580 0.006315 0.041742 0.014227 -0.014899 0.051826 0.006199 0.047516 0.107472 0.019125 0.005685 -0.000486 0.064936 0.105753 -0.033966 0.277099 -0.031562 -0.042849 0.016996 0.004917 -0.008201 0.500908 -0.575643 0.174525 -0.017433 0.028568 -0.010894 -0.455620 -0.125870 0.338657 0.007565 -0.014589 0.001161 0.063722 0.067746 -0.104026 -0.015358 0.024795 0.014069 0.013429 0.019195 0.019781 0.167495 0.017816 -0.125887 0.036709 0.006032 0.028768 -0.013535 0.004856 0.024774 -0.484062 0.397749 -0.147357 0.036152 0.010359 0.039501 0.372977 -0.223830 -0.037314 0.003460 0.075370 -0.009601 -0.053067 0.166638 -0.665969 0.015353 0.029973 0.016373 0.011966 -0.003285 -0.005509 -0.083678 -0.238991 -0.252875 -0.000727 0.087527 0.006454 -0.008852 0.001746 0.124167 0.290259 0.665715 0.528523 0.038031 0.005422 0.038365 0.248583 0.031544 0.051764 0.002191 0.025164 0.015303 0.213533 -0.218646 -0.448051 -0.026258 0.006301 0.007370 0.018251 -0.029030 0.035348 0.064408 0.014320 -0.058166 0.012116 -0.018744 -0.032739 0.051058 0.046824 0.024636 -0.363024 -0.418469 -0.036807 -0.033777 -0.012068 0.015755 -0.107280 0.163096 0.277094 0.003104 -0.111998 0.009642 -0.339459 -0.146919 -0.185075 0.022189 -0.022024 0.018066 -0.022924 -0.029723 0.027419 -0.126271 0.160375 -0.732078 -0.000320 0.047813 0.049254 0.010662 -0.041990 0.060029 -0.012293 -0.019045 -0.099672 -0.021422 0.123477 0.065388 -0.103151 0.163415 -0.378804 -0.006036 -0.064315 0.002913 -0.038651 -0.023558 0.004183 -0.036075 0.013657 0.016907 0.004398 -0.127713 0.029198 0.001341 -0.005120 0.042248 0.160769 -0.030038 0.250637 0.031320 -0.005135 0.034832 -0.010186 0.021883 -0.029080 0.280689 0.011739 0.024222 -0.164028 -0.006992 0.264667 0.024849 -0.000547 0.020585 -0.003989 -0.036661 0.074838 0.063846 -0.148364 0.372277 -0.074738 -0.156447 -0.079734 0.004972 0.052454 0.035708 0.083270 0.035586 0.509892 -0.338358 0.144414 0.039598 -0.058477 0.000451 0.120655 0.001109 0.015318 0.043198 -0.122182 0.002951 -0.092195 -0.003416 -0.031260 0.013735 0.018526 0.010754 -0.057966 -0.028946 0.006540 -0.008978 0.022915 0.114108 -0.395535 0.014564 -0.022563 0.023076 0.002220 -0.027031 0.010303 -0.008522 0.012022 -0.035065 -0.002938 0.011669 0.027853 -0.143611 -0.035687 -0.076784 0.011552 0.032326 0.041470 0.010581 -0.020038 0.027766 -0.004957 0.005941 0.040487 0.012002 -0.014641 0.055198 0.004747 0.038229 0.096063 0.015776 0.004537 -0.000283 0.064491 0.106143 -0.033052 0.277868 -0.031069 -0.042297 0.016236 0.004948 -0.004892 0.501398 -0.567801 0.174718 -0.015189 0.025308 -0.009923 -0.455687 -0.125536 0.337072 0.008209 -0.007136 0.005863 0.064107 0.068216 -0.103842 -0.015673 0.026903 0.012956 0.012301 0.019927 0.020162 0.167446 0.017816 -0.125870 0.036355 0.011678 0.032049 -0.016511 0.004654 0.025868 -0.483891 0.397915 -0.146458 0.034835 0.009485 0.035972 0.373021 -0.223776 -0.035157 0.007421 0.069316 -0.008295 -0.053244 0.166773 -0.665906 0.015893 0.026995 0.016381 0.013055 -0.003320 -0.004879 -0.083538 -0.239100 -0.254252 0.000741 0.081152 -0.005173 -0.005343 0.002389 0.084786 0.287767 0.658284 0.529236 0.033953 0.002003 0.037963 0.250678 0.030677 0.053193 0.002943 0.015386 0.015211 0.214093 -0.217920 -0.449213 -0.025935 0.011254 0.008201 0.016633 -0.032674 0.032599 0.064537 0.014565 -0.058133 0.012828 -0.014046 -0.030974 0.048807 0.043630 0.021502 -0.361040 -0.418502 -0.035536 -0.035111 -0.013366 0.013469 -0.108977 0.164138 0.277717 0.003238 -0.096050 0.014824 -0.339549 -0.146888 -0.184941 0.021103 -0.019586 0.018098 -0.020957 -0.028149 0.025372 -0.126231 0.160369 -0.733730 -0.000292 0.040979 0.045055 0.009743 -0.042302 0.060457 -0.013725 -0.015175 0.031212 -0.021917 0.123898 0.068480 -0.101615 0.164502 -0.378060 -0.001867 -0.080664 0.008582 -0.044178 -0.051326 0.011231 -0.033285 0.011229 0.008705 0.009400 -0.060629 0.027484 -0.012476 0.010146 0.040689 0.162048 -0.030085 0.250620 0.031711 -0.004938 0.016644 -0.004161 0.021533 -0.025965 0.280895 0.010663 0.029151 -0.165852 -0.006523 0.264890 0.034304 0.002154 0.027027 -0.005511 -0.030313 0.045716 0.063594 -0.149651 0.373080 -0.076061 -0.159195 -0.082224 0.000770 0.038686 0.018773 0.083284 0.035699 0.510288 -0.341274 0.143885 0.043584 -0.058505 -0.000039 0.120656 0.003976 0.017449 0.036192 -0.122026 0.005277 -0.090372 -0.004067 -0.025311 0.022843 0.017952 0.006956 -0.043930 -0.028850 0.006699 0.000862 0.022509 0.110968 -0.367468 0.015296 -0.023513 0.025646 -0.001211 -0.032680 0.008258 -0.001224 0.012663 -0.023988 0.001367 0.009575 0.021163 -0.144681 -0.036882 -0.075984 0.017897 0.036307 0.045273 0.018652 -0.021681 0.029364 -0.006916 0.003459 0.035656 0.003338 -0.013315 0.063376 -0.001443 0.011182 0.060530 0.007023 0.001781 -0.000233 0.065270 0.107472 -0.032386 0.279872 -0.029942 -0.040716 0.012399 0.006024 0.004756 0.500035 -0.565945 0.175085 -0.002161 0.015902 -0.008739 -0.456277 -0.125069 0.332815 0.008078 0.009786 0.010932 0.064556 0.069477 -0.104217 -0.016636 0.030319 0.011478 0.015749 0.020179 0.022287 0.166535 0.017737 -0.125396 0.032142 0.022806 0.039056 -0.018445 -0.000209 0.020654 -0.482140 0.397826 -0.145030 0.023453 0.009160 0.033811 0.372630 -0.223134 -0.030415 0.016502 0.050869 0.005746 -0.054017 0.167175 -0.665980 0.014549 0.014916 0.015661 0.004592 -0.001970 -0.000908 -0.083054 -0.239745 -0.255604 0.004974 0.060287 -0.026877 0.001858 0.002915 -0.047809 0.282788 0.657471 0.532504 0.027160 -0.005738 0.037195 0.243495 0.027846 0.057249 0.002477 -0.008674 0.021801 0.214922 -0.218289 -0.458298 -0.021135 0.024635 0.015776 0.011437 -0.031357 0.024510 0.064570 0.014985 -0.058152 0.016323 -0.002721 -0.025357 0.044192 0.041483 0.012383 -0.357084 -0.418771 -0.031540 -0.034576 -0.015398 0.008430 -0.101754 0.165691 0.277633 0.005934 -0.048069 0.033692 -0.340364 -0.147183 -0.184688 0.018527 -0.010666 0.016571 -0.015733 -0.023095 0.021705 -0.126600 0.160535 -0.738927 0.001947 0.018714 0.030260 0.009841 -0.041026 0.061294 -0.016090 -0.008083 0.299622 -0.022837 0.125084 0.071381 -0.098658 0.165751 -0.376633 0.005722 -0.115838 0.020085 -0.055443 -0.096454 0.022719 -0.030584 -0.001339 -0.008334 0.023683 0.062714 0.026160 -0.035938 0.036235 0.038436 0.164772 -0.030367 0.250200 0.034098 -0.002508 -0.014278 0.004934 0.023981 -0.020451 0.280838 0.008526 0.038275 -0.165336 -0.005633 0.266207 0.052100 0.007592 0.040014 -0.008296 -0.018774 -0.012573 0.063117 -0.152450 0.373907 -0.077725 -0.165803 -0.087779 -0.006136 0.009781 -0.019975 0.083417 0.035865 0.510728 -0.346471 0.142977 0.051039 -0.058207 -0.001287 0.120414 0.010377 0.022428 0.020339 -0.121092 0.008210 -0.088245 -0.002198 -0.010588 0.044452 0.016367 -0.000744 -0.012907 -0.029622 0.008179 0.020572 0.021719 0.103902 -0.313624 0.017061 -0.025373 0.029706 -0.008517 -0.043746 0.003908 0.015342 0.013992 -0.000436 0.011046 0.006368 0.009750 -0.146623 -0.037595 -0.074685 0.029943 0.042803 0.053667 0.035748 -0.024001 0.032872 -0.013645 -0.001614 0.026227 -0.012425 -0.009672 0.081257 -0.014580 -0.047947 -0.011073 -0.011370 -0.005321 -0.001275 0.065165 0.109989 -0.030771 0.283845 -0.027947 -0.038033 0.004265 0.008511 0.025682 0.497799 -0.564565 0.177725 0.026119 -0.001855 -0.013442 -0.456921 -0.124245 0.325164 0.006011 0.043902 0.020661 0.065521 0.071355 -0.104538 -0.016643 0.037689 0.009079 0.011929 0.021563 0.029088 0.165376 0.017444 -0.124778 0.023457 0.045720 0.049852 -0.025432 -0.001570 0.012218 -0.478356 0.396168 -0.141880 0.005713 0.009594 0.028974 0.371390 -0.222867 -0.018621 0.030683 0.026520 0.035583 -0.055235 0.167544 -0.665909 0.010934 -0.006601 0.016958 0.001192 0.001420 0.003773 -0.082077 -0.240785 -0.258160 0.015015 0.021833 -0.070921 0.015022 0.005743 -0.311775 0.272170 0.654912 0.538651 0.013120 -0.021969 0.032480 0.243729 0.023242 0.063557 -0.001657 -0.049816 0.024912 0.215484 -0.219707 -0.459548 -0.015101 0.050095 0.013669 0.004949 -0.028817 0.008187 0.064518 0.015580 -0.058556 0.018552 0.019006 -0.012536 0.037443 0.023627 -0.003381 -0.348817 -0.418241 -0.023999 -0.034267 -0.019161 -0.002283 -0.101404 0.169284 0.279063 0.007450 0.042724 0.072983 -0.341417 -0.147725 -0.185286 0.014853 0.006553 0.012717 -0.006772 -0.009665 0.015691 -0.126878 0.160523 -0.748779 0.001295 -0.029115 0.006181 0.009486 -0.035142 0.060679 -0.015942 -0.011107 0.209043 -0.022352 0.123279 0.063350 -0.104157 0.169799 -0.377127 0.002987 -0.103845 0.015843 -0.052959 -0.076856 0.017803 -0.029762 0.003244 0.004207 0.017923 0.016626 0.030013 -0.023645 0.027459 0.042337 0.163833 -0.031071 0.250252 0.036283 -0.004951 -0.001469 0.003439 0.024330 -0.021387 0.278584 0.009832 0.034075 -0.159982 -0.006324 0.274580 0.043240 0.006866 0.035513 -0.007521 -0.022320 0.009854 0.063090 -0.151596 0.373048 -0.078635 -0.170747 -0.086208 -0.005238 0.019112 -0.003505 0.082883 0.036440 0.510979 -0.343783 0.144910 0.047918 -0.058285 -0.000706 0.121017 0.010287 0.021880 0.021296 -0.119114 0.004523 -0.089657 -0.001109 -0.015572 0.039820 0.016225 0.001433 -0.023816 -0.030190 0.008382 0.015076 0.023991 0.109459 -0.333548 0.018544 -0.029512 0.026085 -0.008691 -0.041792 -0.001743 0.010331 0.014035 -0.006590 0.009332 0.009289 0.010797 -0.146090 -0.033211 -0.072606 0.025662 0.040962 0.051540 0.029072 -0.023480 0.031760 -0.010284 -0.000455 0.029698 -0.006778 -0.009847 0.080307 -0.009217 -0.028427 0.018178 -0.007182 -0.004060 -0.001470 0.060234 0.108979 -0.026554 0.282054 -0.028925 -0.039361 0.008185 0.008067 0.019164 0.499041 -0.583381 0.178520 0.015337 0.005942 -0.010393 -0.456380 -0.124357 0.327668 0.003732 0.034915 0.017830 0.065117 0.072906 -0.103842 -0.014534 0.036974 0.009317 0.005515 0.019996 0.027211 0.164981 0.017602 -0.125807 0.025826 0.037190 0.045390 -0.022577 0.004020 0.013170 -0.478980 0.395484 -0.144018 0.011134 0.009214 0.030660 0.370620 -0.222801 -0.016910 0.030419 0.036487 0.017742 -0.054861 0.167402 -0.666231 0.010447 -0.000653 0.016602 0.006722 0.001219 0.000984 -0.081496 -0.239407 -0.256808 0.012686 0.036140 -0.064067 0.012665 0.005996 -0.233156 0.273688 0.664416 0.535242 0.017103 -0.016985 0.032996 0.290122 0.023726 0.059614 -0.003352 -0.037568 0.024069 0.214839 -0.220940 -0.424165 -0.016035 0.043870 -0.017736 0.005035 -0.030416 0.013193 0.063426 0.015100 -0.059210 0.017742 0.011991 -0.015805 0.039601 0.024877 0.002143 -0.350983 -0.416942 -0.026513 -0.034626 -0.017637 0.001837 -0.149119 0.167805 0.285318 0.008840 0.015286 0.049881 -0.340680 -0.147681 -0.187106 0.014359 0.001601 0.015125 -0.006930 -0.013912 0.015910 -0.125831 0.159636 -0.745500 0.000725 -0.013335 0.014202 0.011400 -0.037883 0.064129 -0.015665 -0.010289 -0.067127 -0.022965 0.124033 0.069671 -0.098709 0.164715 -0.369766 0.009928 -0.056534 0.016821 -0.040628 -0.052627 0.020120 -0.029119 -0.001089 -0.007647 0.016432 0.051095 0.019834 -0.027297 0.030864 0.036386 0.164334 -0.030546 0.249892 0.031395 -0.002447 -0.011959 0.006244 0.017357 -0.014398 0.280223 0.007759 0.038314 -0.163082 -0.005702 0.266388 0.040151 0.005171 0.033703 -0.006298 -0.021313 -0.008378 0.062881 -0.152603 0.373916 -0.077498 -0.166755 -0.091225 -0.005969 0.007355 -0.013191 0.083144 0.035765 0.510717 -0.346437 0.143055 0.049469 -0.058325 -0.001646 0.120214 0.007072 0.016312 0.020905 -0.121079 0.006139 -0.087213 -0.001477 -0.008661 0.043293 0.013091 -0.002090 -0.010285 -0.026823 0.006564 0.018907 0.020630 0.103984 -0.323237 0.016938 -0.024985 0.030387 -0.006063 -0.039596 0.005524 0.015590 0.013272 -0.000367 0.007703 0.003392 0.011143 -0.146689 -0.036224 -0.074951 0.024953 0.033317 0.046284 0.030720 -0.019438 0.030410 -0.011483 -0.000703 0.020173 -0.009304 -0.009977 0.071849 -0.011218 -0.026975 -0.008183 -0.006339 -0.004673 0.000990 0.063484 0.109886 -0.030473 0.283919 -0.027076 -0.036473 0.003855 0.009764 0.022694 0.498750 -0.567208 0.178277 0.019193 -0.000247 -0.013972 -0.457069 -0.126000 0.327520 0.004707 0.034039 0.019081 0.065292 0.071495 -0.105192 -0.015411 0.021489 0.010851 0.006237 0.020084 0.030003 0.165010 0.017003 -0.125229 0.020389 0.024888 0.043281 -0.022491 -0.000907 0.016094 -0.479023 0.395681 -0.141510 0.007823 0.008729 0.029166 0.371360 -0.223789 -0.018864 0.027400 0.021801 0.035133 -0.055354 0.167337 -0.666484 0.014016 -0.004740 0.019763 0.006136 0.002147 0.006256 -0.082046 -0.240869 -0.257389 0.012093 0.023498 -0.056612 0.013484 0.006201 0.059573 0.272796 0.655944 0.538424 0.015767 -0.016566 0.032177 0.245913 0.023960 0.062758 -0.001141 -0.038205 0.025426 0.214827 -0.220831 -0.450389 -0.016678 0.030781 0.008084 0.007135 -0.028577 0.014180 0.064199 0.015353 -0.059348 0.018219 0.002921 -0.010387 0.036490 0.020286 -0.002730 -0.349899 -0.418205 -0.024835 -0.031184 -0.013369 -0.001652 -0.104188 0.169870 0.275960 0.007661 0.024614 0.066437 -0.341525 -0.147836 -0.186154 0.016732 0.004241 0.012621 -0.008615 -0.011518 0.019152 -0.126883 0.160232 -0.748936 0.001553 -0.024158 0.007778 0.008105 -0.027422 0.058562 -0.015525 -0.010018 -0.131172 -0.022897 0.124144 0.072418 -0.097924 0.164032 -0.367765 0.011144 -0.043401 0.016895 -0.038330 -0.047012 0.020527 -0.027340 -0.000883 -0.010030 0.015709 0.059213 0.017775 -0.028307 0.031481 0.029801 0.164702 -0.030360 0.250084 0.028754 -0.001577 -0.013997 0.005962 0.015904 -0.013072 0.281506 0.007745 0.039811 -0.165306 -0.005493 0.264894 0.040321 0.004504 0.034013 -0.006324 -0.021090 -0.013567 0.063052 -0.153179 0.374866 -0.078132 -0.165707 -0.092077 -0.006081 0.004166 -0.015949 0.083054 0.035651 0.510593 -0.347242 0.142096 0.050380 -0.058335 -0.001827 0.120355 0.006510 0.015394 0.019995 -0.121594 0.007788 -0.085925 -0.003185 -0.007896 0.042089 0.012876 -0.002623 -0.006731 -0.024879 0.005930 0.020274 0.020570 0.102752 -0.319797 0.017321 -0.024261 0.032238 -0.005489 -0.037919 0.007723 0.016673 0.012643 0.001750 0.007257 0.002049 0.010024 -0.146774 -0.037048 -0.074299 0.025341 0.030998 0.044592 0.031570 -0.019034 0.029846 -0.011807 -0.000595 0.017021 -0.010330 -0.010058 0.069379 -0.012370 -0.027592 -0.015807 -0.005694 -0.004672 0.001820 0.064584 0.110285 -0.030451 0.284639 -0.026696 -0.035385 0.003316 0.010090 0.023870 0.498179 -0.566397 0.177933 0.018659 -0.002467 -0.013821 -0.457247 -0.126154 0.327738 0.005200 0.032591 0.018086 0.065540 0.071510 -0.105349 -0.015756 0.016182 0.010823 0.014231 0.019025 0.030499 0.164667 0.017029 -0.124553 0.019441 0.022018 0.041459 -0.022084 -0.007144 0.018481 -0.478398 0.395793 -0.141087 0.006540 0.007288 0.029187 0.371723 -0.223768 -0.021042 0.027058 0.018274 0.041256 -0.055457 0.167339 -0.666591 0.014731 -0.006577 0.019797 -0.000503 0.002613 0.007854 -0.081646 -0.241055 -0.256209 0.012029 0.019563 -0.054172 0.013898 0.006256 0.129977 0.272780 0.657605 0.539619 0.014678 -0.015862 0.030395 0.233950 0.022804 0.065057 -0.000542 -0.039957 0.024802 0.215997 -0.220536 -0.460080 -0.015152 0.027062 0.018546 0.007654 -0.029439 0.015297 0.064256 0.015350 -0.059188 0.015422 -0.000172 -0.010175 0.034980 0.025926 -0.003183 -0.349356 -0.418405 -0.024434 -0.029684 -0.011961 -0.002119 -0.092015 0.170003 0.270573 0.006995 0.029004 0.071612 -0.341811 -0.147710 -0.185942 0.015613 0.005364 0.011473 -0.009141 -0.009845 0.018677 -0.126771 0.160381 -0.749721 0.002861 -0.026383 0.005641 0.007484 -0.023073 0.055875 -0.015621 -0.009756 -0.265235 -0.023042 0.123960 0.071602 -0.097500 0.164929 -0.363835 0.013086 -0.016756 0.015256 -0.033987 -0.034988 0.020708 -0.026842 -0.002606 -0.010366 0.013957 0.075576 0.016530 -0.027695 0.034101 0.031376 0.165098 -0.030584 0.250069 0.028880 -0.001289 -0.013214 0.008191 0.014090 -0.008472 0.280445 0.006866 0.041531 -0.164631 -0.005367 0.266855 0.037248 0.004953 0.033047 -0.005485 -0.020302 -0.022193 0.062991 -0.153360 0.374843 -0.078120 -0.168877 -0.094917 -0.006919 -0.002301 -0.018819 0.083236 0.035838 0.511184 -0.347716 0.142694 0.050855 -0.058229 -0.002051 0.120439 0.005889 0.013072 0.017138 -0.120709 0.006729 -0.084336 -0.002202 -0.004621 0.045387 0.011191 -0.004758 0.001229 -0.024141 0.005348 0.022629 0.019983 0.102763 -0.315452 0.017518 -0.025431 0.032933 -0.005433 -0.038253 0.006002 0.020109 0.012407 0.005622 0.007836 -0.000081 0.008817 -0.147019 -0.037028 -0.074286 0.023959 0.027320 0.042554 0.032228 -0.017456 0.029791 -0.012132 -0.000615 0.011701 -0.011729 -0.010322 0.067041 -0.013053 -0.026535 -0.028565 -0.006425 -0.005436 0.003143 0.064277 0.110691 -0.029527 0.285369 -0.025785 -0.033973 0.001991 0.011395 0.026326 0.498762 -0.565519 0.178363 0.017764 -0.004777 -0.013739 -0.457419 -0.127512 0.327503 0.003738 0.031997 0.019843 0.065783 0.071850 -0.105065 -0.014613 0.007823 0.010315 0.011311 0.017873 0.030809 0.164780 0.016831 -0.124583 0.016582 0.015640 0.040009 -0.022042 -0.005578 0.018198 -0.478209 0.395702 -0.139935 0.005240 0.006153 0.023922 0.371657 -0.224423 -0.016628 0.028121 0.005634 0.044591 -0.055642 0.167572 -0.666420 0.014955 -0.011052 0.020115 0.000704 0.004144 0.009224 -0.081776 -0.241249 -0.256741 0.015153 0.011123 -0.051374 0.015115 0.006506 0.270515 0.271238 0.655073 0.540504 0.011907 -0.015680 0.026952 0.242983 0.022676 0.066296 0.000546 -0.043868 0.024866 0.215850 -0.220255 -0.457132 -0.013653 0.023110 0.017505 0.008649 -0.027866 0.013585 0.064316 0.015425 -0.059106 0.013884 -0.004228 -0.006075 0.030220 0.019269 -0.007987 -0.347870 -0.418396 -0.022740 -0.027669 -0.009441 -0.003189 -0.101004 0.171659 0.273115 0.007262 0.042422 0.070481 -0.341840 -0.147932 -0.185819 0.015151 0.008494 0.009582 -0.007287 -0.007639 0.018507 -0.126823 0.160332 -0.751140 0.002412 -0.033968 -0.000503 0.006914 -0.016099 0.051955 -0.015533 -0.010117 -0.180205 -0.022807 0.124625 0.072220 -0.097807 0.165143 -0.366037 0.011189 -0.036607 0.016980 -0.036885 -0.043109 0.022876 -0.029221 -0.002273 -0.004712 0.015229 0.064703 0.018950 -0.026860 0.033441 0.033759 0.164907 -0.030424 0.250473 0.031480 -0.002026 -0.009528 0.007774 0.016506 -0.012390 0.279209 0.007615 0.040266 -0.164708 -0.005230 0.267264 0.036903 0.005117 0.034276 -0.005033 -0.020673 -0.014985 0.063084 -0.153198 0.374087 -0.078171 -0.168261 -0.093322 -0.005954 0.002265 -0.014991 0.083083 0.035886 0.511132 -0.346356 0.142621 0.050114 -0.058095 -0.001922 0.120743 0.006195 0.014587 0.019624 -0.120152 0.007384 -0.085168 -0.000248 -0.005352 0.045929 0.012422 -0.003652 -0.003524 -0.025594 0.006410 0.021616 0.020375 0.102988 -0.319017 0.017564 -0.025220 0.031440 -0.005446 -0.039103 0.004444 0.018662 0.013238 0.003725 0.008604 0.001225 0.010141 -0.146675 -0.037260 -0.074103 0.025015 0.029429 0.045603 0.031348 -0.018427 0.030492 -0.011920 0.000129 0.016151 -0.010121 -0.009962 0.069499 -0.012136 -0.026976 -0.017585 -0.006912 -0.005089 0.002523 0.064845 0.110580 -0.030464 0.284634 -0.026390 -0.034896 0.002890 0.011173 0.025007 0.498086 -0.567729 0.178198 0.016230 -0.003498 -0.015452 -0.457114 -0.126947 0.328474 0.003995 0.032520 0.018697 0.065705 0.071712 -0.104434 -0.013465 0.012112 0.008862 0.001427 0.016344 0.029722 0.165177 0.016999 -0.123875 0.018345 0.019533 0.039793 -0.021955 0.002992 0.014468 -0.477775 0.395897 -0.139956 0.007196 0.006355 0.022625 0.371528 -0.224609 -0.013421 0.027114 0.009680 0.033284 -0.055311 0.167556 -0.665586 0.013781 -0.009066 0.018763 0.008769 0.003763 0.006819 -0.081770 -0.240641 -0.255052 0.013858 0.015472 -0.058803 0.014399 0.006764 0.186266 0.271063 0.657346 0.540415 0.012215 -0.015761 0.026140 0.244904 0.023412 0.065319 -0.000578 -0.044819 0.022497 0.215426 -0.220273 -0.457174 -0.013579 0.025951 0.016832 0.004134 -0.026897 0.010937 0.064580 0.015524 -0.058386 0.014505 -0.000054 -0.007279 0.031326 0.010917 -0.006139 -0.347529 -0.418335 -0.022887 -0.028392 -0.010984 -0.004143 -0.102362 0.171674 0.280103 0.006488 0.039146 0.060302 -0.341199 -0.147698 -0.184987 0.014646 0.007879 0.009053 -0.005849 -0.007119 0.016687 -0.126893 0.160298 -0.748687 0.001852 -0.030811 -0.000084 0.008246 -0.018402 0.053683 -0.014281 -0.007290 -0.083069 -0.023028 0.123728 0.071895 -0.096730 0.164643 -0.354443 0.017179 0.025148 0.015744 -0.016165 0.002963 0.014075 -0.020178 -0.002754 -0.005763 0.005578 0.065456 0.006611 -0.018383 0.027805 0.029830 0.165457 -0.030695 0.250286 0.020164 -0.001454 -0.009495 0.010378 0.008318 -0.002323 0.280412 0.006022 0.044135 -0.164110 -0.005093 0.267758 0.026850 0.003542 0.026904 -0.003175 -0.016973 -0.018992 0.063060 -0.153924 0.375465 -0.078494 -0.171055 -0.098687 -0.006897 -0.010664 -0.007083 0.083307 0.035853 0.511439 -0.348181 0.142257 0.051600 -0.058041 -0.002548 0.120545 0.003257 0.007412 0.014814 -0.120391 0.006073 -0.080451 -0.002771 -0.001180 0.044739 0.007367 -0.007565 0.008575 -0.018161 0.003607 0.024255 0.019223 0.102431 -0.318350 0.018191 -0.025448 0.036528 -0.002910 -0.031448 0.006716 0.021338 0.011351 0.009858 0.005087 -0.003550 0.008600 -0.147085 -0.036858 -0.073674 0.019341 0.016717 0.035769 0.027661 -0.010670 0.026969 -0.008807 -0.000192 0.003074 -0.008688 -0.009397 0.057119 -0.010973 -0.008762 -0.033482 -0.002185 -0.004800 0.005844 0.064002 0.111212 -0.028310 0.286568 -0.024794 -0.030637 0.001201 0.012589 0.027056 0.499630 -0.567221 0.180411 0.006389 -0.007334 -0.011591 -0.457136 -0.128364 0.330128 0.001794 0.026458 0.019684 0.066144 0.072420 -0.105317 -0.012377 -0.007546 0.010846 0.011975 0.014700 0.028501 0.164408 0.016452 -0.124261 0.011117 0.002675 0.032042 -0.016906 -0.008190 0.018203 -0.477884 0.394995 -0.137070 0.008097 0.004434 0.022124 0.371677 -0.225540 -0.014393 0.024890 -0.006622 0.044576 -0.055730 0.167497 -0.666500 0.017160 -0.010129 0.022043 -0.000451 0.006285 0.012071 -0.081289 -0.241465 -0.255626 0.011637 0.009861 -0.039700 0.015540 0.005265 0.081985 0.270069 0.655815 0.542087 0.010550 -0.009662 0.024105 0.244364 0.021889 0.068657 0.001924 -0.042196 0.023330 0.216205 -0.220872 -0.455567 -0.014371 0.009311 0.017968 0.009945 -0.024852 0.013050 0.064522 0.015426 -0.059392 0.008958 -0.012488 -0.001197 0.023324 0.014966 -0.010479 -0.346489 -0.418107 -0.021912 -0.022786 -0.003452 -0.003049 -0.102182 0.173467 0.269070 0.006339 0.036124 0.066682 -0.341851 -0.147933 -0.186112 0.015078 0.008038 0.008070 -0.008691 -0.006771 0.017266 -0.126775 0.160366 -0.752324 0.002066 -0.032783 -0.004015 0.005132 -0.004930 0.044160 -0.012733 -0.002883 0.072058 -0.023515 0.123686 0.073477 -0.095463 0.164547 -0.335379 0.026967 0.114674 0.020335 0.014680 0.080543 0.009282 -0.007235 -0.003714 0.000653 -0.004928 0.066181 -0.012735 -0.002889 0.015554 0.022103 0.166154 -0.030669 0.250240 0.004609 0.003412 -0.007594 0.013351 -0.008076 0.010760 0.279867 0.004229 0.050115 -0.164465 -0.004176 0.269604 0.003077 0.002317 0.016191 -0.000313 -0.010309 -0.024126 0.062829 -0.155237 0.376598 -0.080446 -0.176370 -0.108084 -0.009539 -0.030923 0.007980 0.083021 0.036174 0.511780 -0.350147 0.141555 0.053239 -0.058085 -0.003472 0.120530 -0.002425 -0.003711 0.008435 -0.119845 0.005825 -0.072749 -0.004372 0.007710 0.045790 -0.001028 -0.014020 0.029812 -0.006576 -0.000819 0.029549 0.017390 0.101144 -0.317874 0.019685 -0.025529 0.043406 0.001575 -0.020129 0.007815 0.026049 0.009464 0.021322 0.000606 -0.011215 0.008473 -0.147841 -0.036713 -0.072380 0.010774 -0.005127 0.020085 0.021018 0.002639 0.023678 -0.003369 0.000855 -0.016648 -0.004845 -0.008388 0.038283 -0.008698 0.020679 -0.058599 0.003977 -0.004179 0.011308 0.063544 0.112832 -0.026008 0.289034 -0.022017 -0.023971 -0.001822 0.015259 0.030076 0.500373 -0.571710 0.183542 -0.009335 -0.014593 -0.009217 -0.457573 -0.130592 0.333386 -0.002519 0.018650 0.020780 0.066597 0.073578 -0.105875 -0.008566 -0.042188 0.011241 0.016121 0.014187 0.027212 0.163320 0.015781 -0.123873 -0.001270 -0.023982 0.017934 -0.007225 -0.016025 0.020182 -0.476954 0.393741 -0.131711 0.011427 0.004102 0.011833 0.371584 -0.227259 -0.009003 0.023447 -0.039444 0.050651 -0.056434 0.167887 -0.667150 0.021495 -0.015146 0.027300 -0.007204 0.010429 0.017120 -0.080753 -0.242013 -0.253882 0.011330 -0.002660 -0.017058 0.016492 -0.000521 -0.077486 0.266848 0.659621 0.545625 0.008991 -0.001742 0.020392 0.246599 0.020251 0.073630 0.004178 -0.043622 0.022664 0.216886 -0.221348 -0.456984 -0.014481 -0.017704 0.025247 0.013533 -0.017095 0.010446 0.064268 0.015870 -0.060189 0.001752 -0.029592 0.014592 0.006844 0.008218 -0.016341 -0.343535 -0.417221 -0.019416 -0.012778 0.008582 -0.004581 -0.104636 0.177570 0.261070 0.008070 0.036595 0.058533 -0.342462 -0.147974 -0.187307 0.014275 0.009224 0.003990 -0.009164 -0.003792 0.019064 -0.126841 0.160797 -0.756591 0.007540 -0.036925 -0.015195 0.002130 0.016462 0.028594 -0.010774 -0.002117 -0.021906 -0.023975 0.126156 0.072289 -0.097771 0.168191 -0.327606 0.019623 0.080898 0.016501 0.031549 0.063427 0.002961 -0.002318 -0.002230 0.001334 -0.005133 0.027864 -0.022189 0.006315 0.002511 0.011077 0.166014 -0.030854 0.250303 -0.004142 0.003740 -0.005825 0.010029 -0.011987 0.010952 0.280705 0.004118 0.052928 -0.159881 -0.003662 0.274229 -0.006156 0.003939 0.006646 0.000921 -0.004810 -0.017353 0.062346 -0.155454 0.377163 -0.085406 -0.180230 -0.107162 -0.008532 -0.031440 0.018931 0.082942 0.036715 0.511624 -0.350452 0.142505 0.058609 -0.058050 -0.003669 0.120714 -0.002897 -0.004531 0.004372 -0.119401 0.007858 -0.071214 -0.006688 0.010686 0.042629 -0.003760 -0.014362 0.033068 0.002559 -0.002659 0.031462 0.018709 0.103583 -0.322283 0.022582 -0.028411 0.048504 0.001811 -0.008688 0.007353 0.022936 0.008219 0.024568 0.000071 -0.009423 0.008443 -0.148320 -0.034990 -0.069790 0.005354 -0.014945 0.011511 0.012577 0.012207 0.019598 0.000806 0.002869 -0.018169 0.000748 0.000324 0.029375 -0.006813 0.026622 -0.058918 0.006060 -0.002419 0.011023 0.061531 0.113622 -0.022497 0.289416 -0.022203 -0.019900 -0.002781 0.012328 0.027429 0.501412 -0.600939 0.188150 -0.016962 -0.012813 -0.011495 -0.455465 -0.126848 0.336425 -0.001712 0.019856 0.021267 0.066421 0.075894 -0.105830 -0.005790 -0.029114 0.011604 0.024959 0.012154 0.029349 0.163169 0.016021 -0.123500 -0.002153 -0.013205 0.011709 -0.001639 -0.024804 0.022028 -0.477175 0.393098 -0.127236 0.015942 0.002948 0.006826 0.369031 -0.227709 -0.008167 0.020303 -0.037642 0.041513 -0.056707 0.168351 -0.667138 0.024456 -0.007116 0.027662 -0.017764 0.010983 0.021054 -0.081166 -0.242519 -0.253885 0.005803 0.003954 -0.003810 0.014593 -0.000547 0.019295 0.266140 0.681370 0.546625 0.009238 0.000222 0.016752 0.265598 0.017345 0.075489 0.004875 -0.040151 0.020763 0.215686 -0.226217 -0.434476 -0.012926 -0.010235 0.005591 0.019708 -0.013977 0.014832 0.064884 0.016194 -0.059655 -0.000023 -0.014426 0.019839 0.003507 0.015765 -0.018395 -0.342818 -0.416578 -0.018569 -0.009770 0.008136 -0.002018 -0.125661 0.179186 0.252473 0.007635 0.027371 0.051469 -0.343251 -0.148290 -0.186878 0.018000 0.005371 0.003998 -0.012333 -0.002640 0.022540 -0.127773 0.161765 -0.757016 0.006590 -0.027411 -0.014783 0.000781 0.017901 0.024816 -0.006231 -0.001447 -0.198742 -0.024397 0.124607 0.076691 -0.092259 0.164920 -0.311559 0.007664 0.020691 0.013597 0.056107 0.027409 -0.003639 0.001909 -0.007342 0.007617 -0.001015 -0.034444 -0.023246 0.021470 -0.015217 0.001692 0.166437 -0.030710 0.251322 -0.015582 0.003212 0.005895 0.008484 -0.017256 0.011607 0.280170 0.003385 0.060436 -0.162412 -0.003052 0.269814 -0.026632 0.003749 -0.009077 0.010001 0.006941 0.002276 0.061861 -0.156314 0.377976 -0.081503 -0.175419 -0.104684 -0.006069 -0.032463 0.045572 0.082827 0.036403 0.511873 -0.350132 0.139098 0.069112 -0.057418 -0.004106 0.121516 -0.003918 -0.007044 0.004014 -0.120923 0.007680 -0.064078 -0.001371 0.022912 0.040578 -0.008228 -0.015027 0.039356 0.016509 -0.003329 0.033722 0.014315 0.100631 -0.329912 0.020864 -0.025234 0.058427 0.003477 0.013136 0.007292 0.017580 0.008541 0.030988 -0.000584 -0.006435 0.013366 -0.148666 -0.036275 -0.070041 -0.005180 -0.034653 -0.001471 -0.001306 0.028093 0.013983 0.009891 0.004926 -0.019481 0.007105 0.011418 0.007199 -0.002295 0.036899 -0.058167 0.009745 0.001614 0.012282 0.062032 0.114420 -0.022184 0.290362 -0.022351 -0.011576 -0.004220 0.008544 0.027121 0.502514 -0.565774 0.191753 -0.039478 -0.011362 -0.009318 -0.452551 -0.118580 0.342512 -0.001691 0.020479 0.020798 0.066800 0.076416 -0.106736 0.001965 -0.003146 0.007338 0.005663 0.002511 0.025268 0.161400 0.015805 -0.124809 -0.002700 0.012976 -0.006303 0.008270 -0.014800 0.018980 -0.476507 0.389971 -0.115481 0.026545 -0.001881 -0.012044 0.367996 -0.227367 -0.003596 0.010175 -0.036845 0.010724 -0.056855 0.168489 -0.668158 0.023511 0.010155 0.026444 -0.007563 0.013960 0.024474 -0.079620 -0.243225 -0.253432 -0.005744 0.005965 0.024514 0.009187 0.000670 0.198254 0.262139 0.654131 0.548007 0.006168 0.005517 0.007900 0.239305 0.011932 0.083770 0.006692 -0.035972 0.016765 0.217549 -0.224723 -0.454467 -0.010215 0.000143 0.025541 0.022967 -0.005897 0.017401 0.064325 0.016596 -0.060710 -0.007313 0.022428 0.035146 -0.004661 -0.008776 -0.014643 -0.338412 -0.414515 -0.017311 0.003385 0.010422 0.007535 -0.096507 0.181551 0.243071 0.004418 0.012042 0.012746 -0.344330 -0.148397 -0.187815 0.015900 -0.005635 0.004905 -0.010629 -0.000738 0.021770 -0.127156 0.162357 -0.759458 0.007403 -0.008377 -0.019787 -0.000813 0.020382 0.010985 -0.005127 -0.000844 -0.040718 -0.024812 0.125214 0.077720 -0.091207 0.165113 -0.308023 -0.003004 -0.012111 0.011063 0.059643 0.005650 -0.005888 0.002264 -0.008674 0.007788 0.004461 -0.054689 -0.025687 0.023513 -0.020006 -0.004482 0.166232 -0.030700 0.250611 -0.017989 0.001300 0.010628 0.005665 -0.018302 0.008782 0.276967 0.002988 0.062112 -0.165507 -0.002738 0.269210 -0.034547 0.004984 -0.015375 0.012346 0.013559 0.009383 0.061647 -0.156100 0.375939 -0.081383 -0.175650 -0.102810 -0.004498 -0.029575 0.053659 0.082799 0.036406 0.511339 -0.348765 0.138557 0.071999 -0.057500 -0.004172 0.121020 -0.004789 -0.005789 0.001628 -0.120513 0.008657 -0.061621 0.003023 0.027939 0.040291 -0.008604 -0.014067 0.038226 0.020948 -0.002009 0.033990 0.013603 0.100246 -0.333332 0.021189 -0.025504 0.059421 0.004124 0.019289 0.000005 0.014178 0.009182 0.031945 0.001048 -0.004397 0.013368 -0.148848 -0.038119 -0.070651 -0.009427 -0.039172 -0.004598 -0.008730 0.031078 0.011541 0.011094 0.006302 -0.016715 0.011473 0.015295 -0.001020 -0.000708 0.027724 -0.053384 0.008983 0.002235 0.009546 0.063288 0.114746 -0.023788 0.289890 -0.022718 -0.009329 -0.005835 0.004166 0.024892 0.503461 -0.557892 0.192753 -0.041417 -0.009142 -0.009251 -0.450777 -0.115993 0.344693 0.001971 0.022154 0.020968 0.066603 0.076209 -0.107235 0.005453 0.007822 0.007097 -0.010539 0.002391 0.027414 0.161559 0.016034 -0.125754 -0.002410 0.023360 -0.010261 0.009662 -0.007489 0.019106 -0.477354 0.389055 -0.113454 0.029168 -0.002695 -0.011268 0.366540 -0.228598 0.003375 0.006466 -0.030912 -0.000289 -0.056954 0.168857 -0.668720 0.023044 0.013460 0.023883 0.002079 0.015361 0.025784 -0.080290 -0.243006 -0.254808 -0.006066 0.010786 0.028915 0.009164 0.000825 0.040123 0.260089 0.647927 0.549268 0.008646 0.007254 0.007844 0.236989 0.011420 0.086559 0.009322 -0.033039 0.020131 0.218428 -0.222536 -0.466453 -0.012140 0.011286 0.036402 0.023456 -0.003965 0.023598 0.064204 0.016536 -0.061080 -0.006454 0.033560 0.036685 -0.001585 -0.019648 -0.014176 -0.336939 -0.413630 -0.016213 0.004578 0.009198 0.009140 -0.093001 0.184148 0.251201 0.003660 0.009938 0.002569 -0.344550 -0.148544 -0.187943 0.017792 -0.006201 0.004562 -0.008194 -0.001852 0.022077 -0.127425 0.162439 -0.759251 0.008692 -0.006078 -0.019896 -0.001519 0.015904 0.013220 -0.004135 -0.000435 0.089530 -0.024789 0.127418 0.084088 -0.088953 0.165538 -0.304281 -0.006656 -0.033798 0.009668 0.062880 -0.014952 -0.010516 0.005920 -0.007044 0.007374 0.007356 -0.071878 -0.024606 0.025373 -0.025469 -0.009843 0.166308 -0.030813 0.251259 -0.024086 0.000073 0.013950 0.001273 -0.019450 0.008485 0.278697 0.002968 0.065000 -0.167486 -0.002459 0.265044 -0.036526 0.004332 -0.019426 0.013296 0.018393 0.014559 0.061643 -0.156755 0.376768 -0.085404 -0.171341 -0.100299 -0.002345 -0.027275 0.058601 0.082702 0.036311 0.510783 -0.348930 0.136729 0.076397 -0.057149 -0.004444 0.121133 -0.004402 -0.005357 0.001074 -0.121236 0.012850 -0.060151 0.001653 0.028110 0.036017 -0.008666 -0.012974 0.037438 0.027019 -0.003192 0.034724 0.013481 0.099639 -0.333314 0.021697 -0.025339 0.063183 0.004707 0.025957 0.003008 0.010456 0.008099 0.033398 0.001167 -0.003977 0.012904 -0.148732 -0.039196 -0.068887 -0.011299 -0.042388 -0.008697 -0.013004 0.033489 0.008879 0.012389 0.007087 -0.016025 0.013076 0.017563 -0.007431 0.000169 0.022283 -0.050984 0.010321 0.003350 0.007461 0.064153 0.114931 -0.023918 0.290240 -0.022803 -0.005955 -0.005878 0.000364 0.024164 0.501633 -0.573412 0.195495 -0.043608 -0.007888 -0.008760 -0.449379 -0.112851 0.347334 0.003387 0.022183 0.020229 0.066816 0.076219 -0.107850 0.007404 0.018575 0.007395 -0.001184 0.003126 0.026737 0.160875 0.015638 -0.125690 -0.002720 0.031283 -0.014755 0.013531 -0.015399 0.017233 -0.475814 0.387745 -0.109867 0.031041 -0.003772 -0.015160 0.366083 -0.227076 0.000654 -0.000810 -0.026668 -0.006822 -0.056867 0.168722 -0.669073 0.019925 0.018872 0.020499 -0.006419 0.013404 0.026354 -0.079332 -0.243777 -0.253673 -0.008548 0.011368 0.032087 0.009004 0.002976 -0.093262 0.262652 0.666826 0.550125 0.006991 0.008181 0.007025 0.206599 0.007126 0.090825 0.011300 -0.029777 0.018174 0.219482 -0.225048 -0.479067 -0.009687 0.014934 0.047854 0.023727 -0.000182 0.025900 0.064361 0.017112 -0.061107 -0.006772 0.044694 0.039565 -0.004720 -0.012864 -0.011329 -0.336549 -0.412968 -0.015457 0.008913 0.007925 0.012557 -0.061447 0.183110 0.241299 0.000837 0.006096 0.000116 -0.344826 -0.148187 -0.187926 0.016892 -0.006553 0.004952 -0.007636 0.001468 0.020727 -0.127175 0.163339 -0.759794 0.008179 -0.000320 -0.016693 -0.002437 0.011677 0.012591 -0.002895 -0.001245 0.066069 -0.024875 0.127061 0.078789 -0.091528 0.166875 -0.302920 -0.008742 -0.034125 0.010054 0.051481 -0.018606 -0.008447 0.005625 -0.005043 0.006501 0.011505 -0.061146 -0.018272 0.022565 -0.023477 -0.004354 0.166474 -0.031092 0.251300 -0.024258 -0.000664 0.013845 0.000454 -0.016656 0.010763 0.281347 0.003388 0.067912 -0.162982 -0.002507 0.272668 -0.030441 0.003681 -0.018419 0.012297 0.020866 0.016547 0.061727 -0.156842 0.377774 -0.084532 -0.177709 -0.096371 -0.000262 -0.022284 0.055634 0.083009 0.036776 0.511394 -0.348707 0.137807 0.080988 -0.056994 -0.004541 0.121682 -0.003264 -0.003755 -0.000781 -0.121376 0.009978 -0.056243 -0.000246 0.024850 0.028829 -0.006631 -0.011264 0.034950 0.030054 -0.002498 0.035172 0.014904 0.101768 -0.328753 0.024477 -0.028962 0.065288 0.004349 0.028262 0.003491 0.005459 0.006695 0.033923 0.001305 -0.001795 0.010523 -0.148734 -0.037860 -0.067935 -0.008421 -0.035687 -0.007366 -0.012624 0.028641 0.008340 0.011829 0.007758 -0.010920 0.012332 0.016197 -0.005417 -0.000950 0.008921 -0.045580 0.010438 0.003657 0.006113 0.062962 0.114846 -0.018134 0.290144 -0.022846 -0.001670 -0.004638 -0.003291 0.025525 0.503415 -0.569886 0.198182 -0.036543 -0.006084 -0.001687 -0.447108 -0.112138 0.351444 0.004341 0.018292 0.014241 0.066909 0.078273 -0.106399 0.010148 0.020401 0.001081 0.009264 -0.000166 0.021143 0.160890 0.015406 -0.124983 -0.002357 0.028960 -0.019029 0.014916 -0.020836 0.012857 -0.475457 0.386230 -0.107077 0.028018 -0.004878 -0.016802 0.364936 -0.226144 -0.000568 -0.006394 -0.022915 -0.017223 -0.056627 0.168842 -0.668172 0.013770 0.016538 0.009859 -0.013933 0.013559 0.026141 -0.079141 -0.244632 -0.253914 -0.010701 0.002362 0.026392 0.008202 0.004811 -0.071276 0.261026 0.657356 0.551596 0.006732 0.005965 0.002510 0.247825 0.009268 0.091514 0.010211 -0.024599 0.010913 0.218462 -0.226290 -0.458406 -0.002842 0.018962 0.019646 0.019304 0.002910 0.023221 0.065419 0.017152 -0.060248 -0.003764 0.043347 0.040187 -0.006381 -0.000996 -0.008515 -0.336744 -0.411259 -0.011748 0.010908 0.003441 0.013675 -0.103598 0.182275 0.230696 0.000292 0.011776 -0.001944 -0.345351 -0.148802 -0.187534 0.012265 -0.002786 0.005787 -0.006597 0.003282 0.021369 -0.127954 0.164097 -0.759315 0.005763 0.000846 -0.013801 -0.003162 0.003924 0.013697 0.001337 -0.002965 -0.013584 -0.025542 0.128637 0.081938 -0.087290 0.165337 -0.301114 -0.014234 -0.030797 0.008588 0.022336 -0.035198 -0.000184 0.004432 -0.002310 -0.006839 0.021286 -0.032848 0.002704 0.011535 -0.017401 -0.002583 0.166177 -0.031228 0.250477 -0.016703 -0.004058 0.015751 -0.007707 -0.009242 0.012591 0.283591 0.003088 0.074813 -0.165810 -0.002149 0.267999 -0.015944 0.001247 -0.017561 0.011801 0.029112 0.016386 0.061611 -0.156987 0.376928 -0.084159 -0.173865 -0.087043 0.007195 -0.007787 0.046152 0.083310 0.036734 0.510583 -0.347480 0.135608 0.089645 -0.056941 -0.004955 0.121043 -0.001205 0.001769 -0.000358 -0.123520 0.010165 -0.047995 0.002481 0.019839 0.018532 -0.001031 -0.006350 0.024901 0.034840 0.001058 0.034592 0.013100 0.100436 -0.318006 0.024923 -0.030538 0.068414 0.004810 0.032357 0.004814 -0.006643 0.004996 0.033512 0.002432 0.000335 0.006327 -0.148810 -0.040757 -0.068893 -0.002668 -0.017412 -0.003588 -0.015036 0.015726 0.007204 0.009073 0.009107 0.003709 0.009096 0.014451 -0.009043 -0.003563 -0.031716 -0.029535 0.009428 0.002269 -0.001014 0.065320 0.114727 -0.018020 0.289118 -0.022613 0.007445 -0.001650 -0.015430 0.021883 0.502837 -0.549315 0.201690 -0.015211 -0.005549 0.005288 -0.443238 -0.110732 0.359843 0.007626 0.012777 0.004333 0.066933 0.077714 -0.106915 0.018088 0.022862 -0.009529 0.008106 -0.000876 0.014164 0.160573 0.014741 -0.125952 -0.003129 0.022745 -0.023001 0.012694 -0.015379 0.006024 -0.474597 0.382916 -0.102664 0.021645 -0.006494 -0.012390 0.363403 -0.224010 -0.000882 -0.010554 -0.006685 -0.039377 -0.056697 0.168526 -0.668647 -0.000130 0.004078 -0.010879 -0.008387 0.004641 0.023819 -0.078887 -0.246083 -0.256204 -0.012046 -0.015523 0.009769 0.003332 0.011275 0.015739 0.262809 0.643448 0.556271 0.007794 0.006929 0.000383 0.227553 0.009211 0.101246 0.010848 -0.018714 0.007696 0.219472 -0.225279 -0.476420 0.005253 0.026196 0.021304 0.007182 0.012087 0.020173 0.066045 0.017403 -0.060583 -0.000651 0.034099 0.034815 -0.003715 0.002805 0.001762 -0.337279 -0.408129 -0.005324 0.012647 -0.006512 0.016642 -0.080894 0.181572 0.218964 -0.002977 0.024940 0.005084 -0.346776 -0.148391 -0.187834 0.003845 0.006424 0.001847 -0.000512 0.004268 0.025215 -0.128639 0.165533 -0.759224 0.002574 -0.002204 -0.004622 -0.000234 -0.017709 0.016804</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3382"
                           xFract="0.75097156"
                           y3="2.1013"
                           yFract="0.24896919"
                           z3="9.47351"
                           zFract="0.42635059"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10872"
                           xFract="0.24984834"
                           y3="8.4306"
                           yFract="0.99888626"
                           z3="4.13566"
                           zFract="0.18612331"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43375"
                           xFract="0.99925948"
                           y3="2.09336"
                           yFract="0.24802844"
                           z3="4.19045"
                           zFract="0.18858911"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2093"
                           xFract="0.49873223"
                           y3="2.09649"
                           yFract="0.24839929"
                           z3="8.43717"
                           zFract="0.37971062"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3404"
                           xFract="0.75123223"
                           y3="0.01272"
                           yFract="0.00150711"
                           z3="4.22326"
                           zFract="0.19006571"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02554"
                           xFract="0.00302607"
                           y3="8.42736"
                           yFract="0.99850237"
                           z3="6.31619"
                           zFract="0.28425698"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00862"
                           xFract="0.00102133"
                           y3="2.08701"
                           yFract="0.24727607"
                           z3="8.46032"
                           zFract="0.38075248"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09024"
                           xFract="0.24765877"
                           y3="6.35913"
                           yFract="0.75345142"
                           z3="6.31574"
                           zFract="0.28423672"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22285"
                           xFract="0.50033768"
                           y3="2.08698"
                           yFract="0.24727251"
                           z3="4.21647"
                           zFract="0.18976013"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34344"
                           xFract="0.75159242"
                           y3="8.42609"
                           yFract="0.9983519"
                           z3="8.41264"
                           zFract="0.37860666"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33882"
                           xFract="0.75104502"
                           y3="4.23346"
                           yFract="0.50159479"
                           z3="8.45853"
                           zFract="0.38067192"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09473"
                           xFract="0.24819076"
                           y3="4.1892"
                           yFract="0.49635071"
                           z3="4.19069"
                           zFract="0.18859991"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.08674"
                           xFract="0.24724408"
                           y3="8.42813"
                           yFract="0.9985936"
                           z3="8.59962"
                           zFract="0.3870216"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35083"
                           xFract="0.75246801"
                           y3="6.3425"
                           yFract="0.75148104"
                           z3="6.40587"
                           zFract="0.28829298"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23699"
                           xFract="0.50201303"
                           y3="6.34052"
                           yFract="0.75124645"
                           z3="8.63229"
                           zFract="0.3884919"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.34995"
                           xFract="0.75236374"
                           y3="4.21391"
                           yFract="0.49927844"
                           z3="4.20855"
                           zFract="0.18940369"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00759"
                           xFract="0.00089929"
                           y3="6.3564"
                           yFract="0.75312796"
                           z3="8.56499"
                           zFract="0.3854631"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00723"
                           xFract="0.00085664"
                           y3="6.31123"
                           yFract="0.74777607"
                           z3="4.17614"
                           zFract="0.18794509"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18104"
                           xFract="0.49538389"
                           y3="8.39463"
                           yFract="0.99462441"
                           z3="6.39586"
                           zFract="0.28784248"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20836"
                           xFract="0.49862085"
                           y3="4.26012"
                           yFract="0.50475355"
                           z3="6.3820"
                           zFract="0.28721872"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08751"
                           xFract="0.24733531"
                           y3="2.08845"
                           yFract="0.24744668"
                           z3="6.3851"
                           zFract="0.28735824"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00755"
                           xFract="0.00089455"
                           y3="4.25922"
                           yFract="0.50464692"
                           z3="6.38011"
                           zFract="0.28713366"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34565"
                           xFract="0.75185427"
                           y3="2.11327"
                           yFract="0.25038744"
                           z3="6.36772"
                           zFract="0.28657606"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25889"
                           xFract="0.50460782"
                           y3="6.30566"
                           yFract="0.74711611"
                           z3="4.2297"
                           zFract="0.19035554"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11484"
                           xFract="0.25057346"
                           y3="4.24746"
                           yFract="0.50325355"
                           z3="8.49924"
                           zFract="0.38250405"/>
                     <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="0.0234"
                           xFract="0.00277251"
                           y3="2.07844"
                           yFract="0.24626066"
                           z3="6.23181"
                           zFract="0.2804595"/>
                     <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="2.06269"
                           xFract="0.24439455"
                           y3="8.39552"
                           yFract="0.99472986"
                           z3="6.03479"
                           zFract="0.27159271"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36517"
                           xFract="0.99113389"
                           y3="0.1770"
                           yFract="0.02097156"
                           z3="4.18304"
                           zFract="0.18825563"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03418"
                           xFract="0.00404976"
                           y3="0.08329"
                           yFract="0.00986848"
                           z3="8.39187"
                           zFract="0.37767192"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13755"
                           xFract="0.25326422"
                           y3="1.9142"
                           yFract="0.22680095"
                           z3="4.14421"
                           zFract="0.1865081"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11274"
                           xFract="0.25032464"
                           y3="2.07053"
                           yFract="0.24532346"
                           z3="8.48233"
                           zFract="0.38174302"/>
                     <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="4.18334"
                           xFract="0.4956564"
                           y3="2.10747"
                           yFract="0.24970024"
                           z3="6.34507"
                           zFract="0.28555671"/>
                     <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="6.36639"
                           xFract="0.75431161"
                           y3="8.40548"
                           yFract="0.99590995"
                           z3="6.2871"
                           zFract="0.28294779"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29947"
                           xFract="0.50941588"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="4.22844"
                           zFract="0.19029883"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2111"
                           xFract="0.4989455"
                           y3="0.0271"
                           yFract="0.0032109"
                           z3="8.48839"
                           zFract="0.38201575"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29362"
                           xFract="0.74568957"
                           y3="1.98505"
                           yFract="0.2351955"
                           z3="4.24712"
                           zFract="0.19113951"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3382"
                           xFract="0.75097156"
                           y3="2.1013"
                           yFract="0.24896919"
                           z3="8.47361"
                           zFract="0.38135059"/>
                     <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="0.14172"
                           xFract="0.01679147"
                           y3="6.36788"
                           yFract="0.75448815"
                           z3="6.17847"
                           zFract="0.27805896"/>
                     <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="2.0962"
                           xFract="0.24836493"
                           y3="4.28187"
                           yFract="0.50733057"
                           z3="6.24799"
                           zFract="0.28118767"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01262"
                           xFract="0.00149526"
                           y3="4.00128"
                           yFract="0.47408531"
                           z3="4.21841"
                           zFract="0.18984743"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02615"
                           xFract="0.00309834"
                           y3="4.12607"
                           yFract="0.48887085"
                           z3="8.4963"
                           zFract="0.38237174"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04931"
                           xFract="0.24280924"
                           y3="6.50793"
                           yFract="0.77108175"
                           z3="4.16171"
                           zFract="0.18729568"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08211"
                           xFract="0.2466955"
                           y3="6.38528"
                           yFract="0.75654976"
                           z3="8.39562"
                           zFract="0.37784068"/>
                     <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="4.05655"
                           xFract="0.48063389"
                           y3="6.33254"
                           yFract="0.75030095"
                           z3="6.25131"
                           zFract="0.28133708"/>
                     <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="6.33644"
                           xFract="0.75076303"
                           y3="4.26521"
                           yFract="0.50535664"
                           z3="6.33497"
                           zFract="0.28510216"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21076"
                           xFract="0.49890521"
                           y3="4.17707"
                           yFract="0.49491351"
                           z3="4.18344"
                           zFract="0.18827363"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20633"
                           xFract="0.49838033"
                           y3="4.1896"
                           yFract="0.4963981"
                           z3="8.52954"
                           zFract="0.38386769"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41259"
                           xFract="0.75978555"
                           y3="6.46299"
                           yFract="0.76575711"
                           z3="4.26881"
                           zFract="0.19211566"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3700"
                           xFract="0.75473934"
                           y3="6.33772"
                           yFract="0.75091469"
                           z3="8.53307"
                           zFract="0.38402655"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a33 a55" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34108"
                           xFract="0.7513128"
                           y3="2.10055"
                           yFract="0.24888033"
                           z3="9.45778"
                           zFract="0.42564266"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1097"
                           xFract="0.24996445"
                           y3="8.43043"
                           yFract="0.99886611"
                           z3="4.13524"
                           zFract="0.18610441"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="2.0921"
                           yFract="0.24787915"
                           z3="4.19187"
                           zFract="0.18865302"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14146"
                           xFract="0.49069431"
                           y3="2.09296"
                           yFract="0.24798104"
                           z3="8.44065"
                           zFract="0.37986724"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33949"
                           xFract="0.75112441"
                           y3="0.01268"
                           yFract="0.00150237"
                           z3="4.21705"
                           zFract="0.18978623"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02843"
                           xFract="0.00336848"
                           y3="8.42464"
                           yFract="0.99818009"
                           z3="6.31098"
                           zFract="0.2840225"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07389"
                           xFract="0.00875474"
                           y3="2.08322"
                           yFract="0.24682701"
                           z3="8.46287"
                           zFract="0.38086724"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09165"
                           xFract="0.24782583"
                           y3="6.35943"
                           yFract="0.75348697"
                           z3="6.3145"
                           zFract="0.28418092"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22386"
                           xFract="0.50045735"
                           y3="2.08686"
                           yFract="0.24725829"
                           z3="4.21181"
                           zFract="0.18955041"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3454"
                           xFract="0.75182464"
                           y3="8.35323"
                           yFract="0.98971919"
                           z3="8.38381"
                           zFract="0.37730918"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33954"
                           xFract="0.75113033"
                           y3="4.30757"
                           yFract="0.51037559"
                           z3="8.43063"
                           zFract="0.37941629"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09466"
                           xFract="0.24818246"
                           y3="4.18939"
                           yFract="0.49637322"
                           z3="4.1887"
                           zFract="0.18851035"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09002"
                           xFract="0.2476327"
                           y3="8.43032"
                           yFract="0.99885308"
                           z3="8.60142"
                           zFract="0.38710261"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35128"
                           xFract="0.75252133"
                           y3="6.34325"
                           yFract="0.75156991"
                           z3="6.40141"
                           zFract="0.28809226"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23546"
                           xFract="0.50183175"
                           y3="6.34268"
                           yFract="0.75150237"
                           z3="8.63104"
                           zFract="0.38843564"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35072"
                           xFract="0.75245498"
                           y3="4.21255"
                           yFract="0.4991173"
                           z3="4.20205"
                           zFract="0.18911116"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00783"
                           xFract="0.00092773"
                           y3="6.3575"
                           yFract="0.75325829"
                           z3="8.56519"
                           zFract="0.3854721"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00558"
                           xFract="0.00066114"
                           y3="6.31086"
                           yFract="0.74773223"
                           z3="4.17272"
                           zFract="0.18779118"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17689"
                           xFract="0.49489218"
                           y3="8.39073"
                           yFract="0.99416232"
                           z3="6.38881"
                           zFract="0.2875252"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2044"
                           xFract="0.49815166"
                           y3="4.26393"
                           yFract="0.50520498"
                           z3="6.37388"
                           zFract="0.28685329"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.0868"
                           xFract="0.24725118"
                           y3="2.08676"
                           yFract="0.24724645"
                           z3="6.38325"
                           zFract="0.28727498"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01157"
                           xFract="0.00137085"
                           y3="4.26286"
                           yFract="0.5050782"
                           z3="6.37258"
                           zFract="0.28679478"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34652"
                           xFract="0.75195735"
                           y3="2.11241"
                           yFract="0.25028555"
                           z3="6.27956"
                           zFract="0.28260846"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25921"
                           xFract="0.50464573"
                           y3="6.30669"
                           yFract="0.74723815"
                           z3="4.22692"
                           zFract="0.19023042"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11437"
                           xFract="0.25051777"
                           y3="4.24697"
                           yFract="0.5031955"
                           z3="8.49681"
                           zFract="0.38239469"/>
                     <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="0.00608"
                           xFract="0.00072038"
                           y3="2.0802"
                           yFract="0.24646919"
                           z3="6.2283"
                           zFract="0.28030153"/>
                     <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="2.0641"
                           xFract="0.24456161"
                           y3="8.39869"
                           yFract="0.99510545"
                           z3="6.03695"
                           zFract="0.27168992"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36428"
                           xFract="0.99102844"
                           y3="0.17637"
                           yFract="0.02089692"
                           z3="4.18381"
                           zFract="0.18829028"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0137"
                           xFract="0.00162322"
                           y3="0.09063"
                           yFract="0.01073815"
                           z3="8.40019"
                           zFract="0.37804635"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13614"
                           xFract="0.25309716"
                           y3="1.91391"
                           yFract="0.22676659"
                           z3="4.14954"
                           zFract="0.18674797"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10962"
                           xFract="0.24995498"
                           y3="2.07885"
                           yFract="0.24630924"
                           z3="8.48201"
                           zFract="0.38172862"/>
                     <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="4.20326"
                           xFract="0.49801659"
                           y3="2.10928"
                           yFract="0.24991469"
                           z3="6.34191"
                           zFract="0.28541449"/>
                     <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="6.36421"
                           xFract="0.75405332"
                           y3="8.43182"
                           yFract="0.99903081"
                           z3="6.31378"
                           zFract="0.28414851"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29989"
                           xFract="0.50946564"
                           y3="0.00192"
                           yFract="0.00022749"
                           z3="4.23153"
                           zFract="0.19043789"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23265"
                           xFract="0.50149882"
                           y3="0.03814"
                           yFract="0.00451896"
                           z3="8.49508"
                           zFract="0.38231683"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29507"
                           xFract="0.74586137"
                           y3="1.98938"
                           yFract="0.23570853"
                           z3="4.25419"
                           zFract="0.1914577"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33659"
                           xFract="0.75078081"
                           y3="2.10364"
                           yFract="0.24924645"
                           z3="8.57986"
                           zFract="0.38613231"/>
                     <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="0.13955"
                           xFract="0.01653436"
                           y3="6.36674"
                           yFract="0.75435308"
                           z3="6.17808"
                           zFract="0.2780414"/>
                     <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="2.09737"
                           xFract="0.24850355"
                           y3="4.27764"
                           yFract="0.50682938"
                           z3="6.25361"
                           zFract="0.28144059"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01181"
                           xFract="0.00139929"
                           y3="4.0027"
                           yFract="0.47425355"
                           z3="4.22546"
                           zFract="0.19016472"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00676"
                           xFract="0.00080095"
                           y3="4.11715"
                           yFract="0.48781398"
                           z3="8.50341"
                           zFract="0.38269172"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04846"
                           xFract="0.24270853"
                           y3="6.50867"
                           yFract="0.77116943"
                           z3="4.16181"
                           zFract="0.18730018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08065"
                           xFract="0.24652251"
                           y3="6.37866"
                           yFract="0.7557654"
                           z3="8.39814"
                           zFract="0.3779541"/>
                     <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="4.05891"
                           xFract="0.48091351"
                           y3="6.33102"
                           yFract="0.75012085"
                           z3="6.25468"
                           zFract="0.28148875"/>
                     <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="6.3349"
                           xFract="0.75058057"
                           y3="4.23746"
                           yFract="0.50206872"
                           z3="6.35798"
                           zFract="0.28613771"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21166"
                           xFract="0.49901185"
                           y3="4.17746"
                           yFract="0.49495972"
                           z3="4.18636"
                           zFract="0.18840504"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22578"
                           xFract="0.50068483"
                           y3="4.17872"
                           yFract="0.495109"
                           z3="8.53767"
                           zFract="0.38423357"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.4132"
                           xFract="0.75985782"
                           y3="6.45931"
                           yFract="0.76532109"
                           z3="4.2706"
                           zFract="0.19219622"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37077"
                           xFract="0.75483057"
                           y3="6.33665"
                           yFract="0.75078791"
                           z3="8.54172"
                           zFract="0.38441584"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a55" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34034"
                           xFract="0.75122512"
                           y3="2.10075"
                           yFract="0.24890403"
                           z3="9.46183"
                           zFract="0.42582493"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10945"
                           xFract="0.24993483"
                           y3="8.43048"
                           yFract="0.99887204"
                           z3="4.13534"
                           zFract="0.18610891"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43374"
                           xFract="0.99925829"
                           y3="2.09242"
                           yFract="0.24791706"
                           z3="4.1915"
                           zFract="0.18863636"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.15889"
                           xFract="0.49275948"
                           y3="2.09387"
                           yFract="0.24808886"
                           z3="8.43976"
                           zFract="0.37982718"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33972"
                           xFract="0.75115166"
                           y3="0.01269"
                           yFract="0.00150355"
                           z3="4.21865"
                           zFract="0.18985824"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02769"
                           xFract="0.00328081"
                           y3="8.42534"
                           yFract="0.99826303"
                           z3="6.31232"
                           zFract="0.28408281"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.05711"
                           xFract="0.00676659"
                           y3="2.08419"
                           yFract="0.24694194"
                           z3="8.46221"
                           zFract="0.38083753"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09129"
                           xFract="0.24778318"
                           y3="6.35936"
                           yFract="0.75347867"
                           z3="6.31482"
                           zFract="0.28419532"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2236"
                           xFract="0.50042654"
                           y3="2.08689"
                           yFract="0.24726185"
                           z3="4.21301"
                           zFract="0.18960441"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3449"
                           xFract="0.7517654"
                           y3="8.37196"
                           yFract="0.99193839"
                           z3="8.39122"
                           zFract="0.37764266"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33935"
                           xFract="0.75110782"
                           y3="4.28853"
                           yFract="0.50811967"
                           z3="8.4378"
                           zFract="0.37973897"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09468"
                           xFract="0.24818483"
                           y3="4.18934"
                           yFract="0.4963673"
                           z3="4.18921"
                           zFract="0.1885333"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.08917"
                           xFract="0.24753199"
                           y3="8.42976"
                           yFract="0.99878673"
                           z3="8.60096"
                           zFract="0.38708191"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35117"
                           xFract="0.75250829"
                           y3="6.34306"
                           yFract="0.75154739"
                           z3="6.40255"
                           zFract="0.28814356"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23586"
                           xFract="0.50187915"
                           y3="6.34213"
                           yFract="0.7514372"
                           z3="8.63136"
                           zFract="0.38845005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35052"
                           xFract="0.75243128"
                           y3="4.2129"
                           yFract="0.49915877"
                           z3="4.20372"
                           zFract="0.18918632"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00777"
                           xFract="0.00092062"
                           y3="6.35722"
                           yFract="0.75322512"
                           z3="8.56514"
                           zFract="0.38546985"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0060"
                           xFract="0.0007109"
                           y3="6.31095"
                           yFract="0.74774289"
                           z3="4.1736"
                           zFract="0.18783078"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17796"
                           xFract="0.49501896"
                           y3="8.39173"
                           yFract="0.99428081"
                           z3="6.39062"
                           zFract="0.28760666"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20542"
                           xFract="0.49827251"
                           y3="4.26295"
                           yFract="0.50508886"
                           z3="6.37596"
                           zFract="0.28694689"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08698"
                           xFract="0.24727251"
                           y3="2.08719"
                           yFract="0.24729739"
                           z3="6.38373"
                           zFract="0.28729658"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01054"
                           xFract="0.00124882"
                           y3="4.26192"
                           yFract="0.50496682"
                           z3="6.37451"
                           zFract="0.28688164"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34629"
                           xFract="0.75193009"
                           y3="2.11263"
                           yFract="0.25031161"
                           z3="6.30222"
                           zFract="0.28362826"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25913"
                           xFract="0.50463626"
                           y3="6.30643"
                           yFract="0.74720735"
                           z3="4.22764"
                           zFract="0.19026283"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11449"
                           xFract="0.25053199"
                           y3="4.2471"
                           yFract="0.5032109"
                           z3="8.49744"
                           zFract="0.38242304"/>
                     <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="0.01053"
                           xFract="0.00124763"
                           y3="2.07974"
                           yFract="0.24641469"
                           z3="6.2292"
                           zFract="0.28034203"/>
                     <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="2.06374"
                           xFract="0.24451896"
                           y3="8.39788"
                           yFract="0.99500948"
                           z3="6.03639"
                           zFract="0.27166472"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36451"
                           xFract="0.99105569"
                           y3="0.17653"
                           yFract="0.02091588"
                           z3="4.18361"
                           zFract="0.18828128"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01896"
                           xFract="0.00224645"
                           y3="0.08874"
                           yFract="0.01051422"
                           z3="8.39805"
                           zFract="0.37795005"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13651"
                           xFract="0.253141"
                           y3="1.91399"
                           yFract="0.22677607"
                           z3="4.14817"
                           zFract="0.18668632"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11042"
                           xFract="0.25004976"
                           y3="2.07671"
                           yFract="0.24605569"
                           z3="8.4821"
                           zFract="0.38173267"/>
                     <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="4.19814"
                           xFract="0.49740995"
                           y3="2.10882"
                           yFract="0.24986019"
                           z3="6.34272"
                           zFract="0.28545095"/>
                     <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="6.36477"
                           xFract="0.75411967"
                           y3="8.42505"
                           yFract="0.99822867"
                           z3="6.30692"
                           zFract="0.28383978"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29979"
                           xFract="0.50945379"
                           y3="0.00178"
                           yFract="0.0002109"
                           z3="4.23074"
                           zFract="0.19040234"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22711"
                           xFract="0.50084242"
                           y3="0.0353"
                           yFract="0.00418246"
                           z3="8.49336"
                           zFract="0.38223942"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2947"
                           xFract="0.74581754"
                           y3="1.98827"
                           yFract="0.23557701"
                           z3="4.25238"
                           zFract="0.19137624"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33701"
                           xFract="0.75083057"
                           y3="2.10304"
                           yFract="0.24917536"
                           z3="8.55256"
                           zFract="0.38490369"/>
                     <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="0.1401"
                           xFract="0.01659953"
                           y3="6.36703"
                           yFract="0.75438744"
                           z3="6.17818"
                           zFract="0.2780459"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09707"
                           xFract="0.24846801"
                           y3="4.27873"
                           yFract="0.50695853"
                           z3="6.25217"
                           zFract="0.28137579"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01202"
                           xFract="0.00142417"
                           y3="4.00234"
                           yFract="0.4742109"
                           z3="4.22365"
                           zFract="0.19008326"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01174"
                           xFract="0.001391"
                           y3="4.11944"
                           yFract="0.48808531"
                           z3="8.50158"
                           zFract="0.38260936"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04868"
                           xFract="0.2427346"
                           y3="6.50848"
                           yFract="0.77114692"
                           z3="4.16178"
                           zFract="0.18729883"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08103"
                           xFract="0.24656754"
                           y3="6.38036"
                           yFract="0.75596682"
                           z3="8.39749"
                           zFract="0.37792484"/>
                     <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="4.05831"
                           xFract="0.48084242"
                           y3="6.33141"
                           yFract="0.75016706"
                           z3="6.25381"
                           zFract="0.28144959"/>
                     <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="6.33529"
                           xFract="0.75062678"
                           y3="4.24459"
                           yFract="0.50291351"
                           z3="6.35207"
                           zFract="0.28587174"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21143"
                           xFract="0.4989846"
                           y3="4.17736"
                           yFract="0.49494787"
                           z3="4.18561"
                           zFract="0.18837129"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22078"
                           xFract="0.50009242"
                           y3="4.18152"
                           yFract="0.49544076"
                           z3="8.53558"
                           zFract="0.38413951"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41304"
                           xFract="0.75983886"
                           y3="6.46026"
                           yFract="0.76543365"
                           z3="4.27014"
                           zFract="0.19217552"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37057"
                           xFract="0.75480687"
                           y3="6.33692"
                           yFract="0.75081991"
                           z3="8.53949"
                           zFract="0.38431548"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a55" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34184"
                           xFract="0.75140284"
                           y3="2.10028"
                           yFract="0.24884834"
                           z3="9.50259"
                           zFract="0.42765932"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10985"
                           xFract="0.24998223"
                           y3="8.43049"
                           yFract="0.99887322"
                           z3="4.13526"
                           zFract="0.18610531"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43414"
                           xFract="0.99930569"
                           y3="2.09198"
                           yFract="0.24786493"
                           z3="4.19196"
                           zFract="0.18865707"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.12697"
                           xFract="0.48897749"
                           y3="2.0920"
                           yFract="0.2478673"
                           z3="8.43946"
                           zFract="0.37981368"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33945"
                           xFract="0.75111967"
                           y3="0.01191"
                           yFract="0.00141114"
                           z3="4.21592"
                           zFract="0.18973537"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02874"
                           xFract="0.00340521"
                           y3="8.42416"
                           yFract="0.99812322"
                           z3="6.31015"
                           zFract="0.28398515"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.08741"
                           xFract="0.01035664"
                           y3="2.08235"
                           yFract="0.24672393"
                           z3="8.46242"
                           zFract="0.38084698"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09184"
                           xFract="0.24784834"
                           y3="6.35934"
                           yFract="0.7534763"
                           z3="6.31464"
                           zFract="0.28418722"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22368"
                           xFract="0.50043602"
                           y3="2.08682"
                           yFract="0.24725355"
                           z3="4.21036"
                           zFract="0.18948515"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34604"
                           xFract="0.75190047"
                           y3="8.33805"
                           yFract="0.98792062"
                           z3="8.37648"
                           zFract="0.3769793"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33969"
                           xFract="0.7511481"
                           y3="4.32349"
                           yFract="0.51226185"
                           z3="8.4236"
                           zFract="0.37909991"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0946"
                           xFract="0.24817536"
                           y3="4.18948"
                           yFract="0.49638389"
                           z3="4.18833"
                           zFract="0.1884937"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09091"
                           xFract="0.24773815"
                           y3="8.42962"
                           yFract="0.99877014"
                           z3="8.60226"
                           zFract="0.38714041"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35147"
                           xFract="0.75254384"
                           y3="6.34336"
                           yFract="0.75158294"
                           z3="6.3990"
                           zFract="0.2879838"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23421"
                           xFract="0.50168365"
                           y3="6.34336"
                           yFract="0.75158294"
                           z3="8.63085"
                           zFract="0.38842709"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35099"
                           xFract="0.75248697"
                           y3="4.21281"
                           yFract="0.4991481"
                           z3="4.20066"
                           zFract="0.1890486"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00879"
                           xFract="0.00104147"
                           y3="6.35795"
                           yFract="0.75331161"
                           z3="8.56529"
                           zFract="0.3854766"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00516"
                           xFract="0.00061137"
                           y3="6.31078"
                           yFract="0.74772275"
                           z3="4.17195"
                           zFract="0.18775653"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1762"
                           xFract="0.49481043"
                           y3="8.38991"
                           yFract="0.99406517"
                           z3="6.3876"
                           zFract="0.28747075"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20386"
                           xFract="0.49808768"
                           y3="4.2647"
                           yFract="0.50529621"
                           z3="6.37221"
                           zFract="0.28677813"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08641"
                           xFract="0.24720498"
                           y3="2.08631"
                           yFract="0.24719313"
                           z3="6.38161"
                           zFract="0.28720117"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01214"
                           xFract="0.00143839"
                           y3="4.26365"
                           yFract="0.5051718"
                           z3="6.37114"
                           zFract="0.28672997"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3467"
                           xFract="0.75197867"
                           y3="2.1125"
                           yFract="0.25029621"
                           z3="6.2616"
                           zFract="0.28180018"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25942"
                           xFract="0.50467062"
                           y3="6.30699"
                           yFract="0.7472737"
                           z3="4.22636"
                           zFract="0.19020522"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11421"
                           xFract="0.25049882"
                           y3="4.24822"
                           yFract="0.5033436"
                           z3="8.49612"
                           zFract="0.38236364"/>
                     <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="0.00256"
                           xFract="0.00030332"
                           y3="2.08045"
                           yFract="0.24649882"
                           z3="6.22849"
                           zFract="0.28031008"/>
                     <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="2.06449"
                           xFract="0.24460782"
                           y3="8.39994"
                           yFract="0.99525355"
                           z3="6.03763"
                           zFract="0.27172052"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36382"
                           xFract="0.99097393"
                           y3="0.1761"
                           yFract="0.02086493"
                           z3="4.18391"
                           zFract="0.18829478"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00858"
                           xFract="0.00101659"
                           y3="0.09201"
                           yFract="0.01090166"
                           z3="8.40228"
                           zFract="0.37814041"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13593"
                           xFract="0.25307227"
                           y3="1.91394"
                           yFract="0.22677014"
                           z3="4.15094"
                           zFract="0.18681098"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10897"
                           xFract="0.24987796"
                           y3="2.0822"
                           yFract="0.24670616"
                           z3="8.48236"
                           zFract="0.38174437"/>
                     <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="4.20804"
                           xFract="0.49858294"
                           y3="2.10965"
                           yFract="0.24995853"
                           z3="6.34276"
                           zFract="0.28545275"/>
                     <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="6.36365"
                           xFract="0.75398697"
                           y3="8.43863"
                           yFract="0.99983768"
                           z3="6.32037"
                           zFract="0.28444509"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30017"
                           xFract="0.50949882"
                           y3="0.00217"
                           yFract="0.00025711"
                           z3="4.23214"
                           zFract="0.19046535"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23796"
                           xFract="0.50212796"
                           y3="0.04054"
                           yFract="0.00480332"
                           z3="8.4965"
                           zFract="0.38238074"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29497"
                           xFract="0.74584953"
                           y3="1.99072"
                           yFract="0.2358673"
                           z3="4.25232"
                           zFract="0.19137354"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33608"
                           xFract="0.75072038"
                           y3="2.10414"
                           yFract="0.24930569"
                           z3="8.55883"
                           zFract="0.38518587"/>
                     <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="0.13853"
                           xFract="0.01641351"
                           y3="6.36652"
                           yFract="0.75432701"
                           z3="6.17782"
                           zFract="0.2780297"/>
                     <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="2.09774"
                           xFract="0.24854739"
                           y3="4.27593"
                           yFract="0.50662678"
                           z3="6.25523"
                           zFract="0.2815135"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01143"
                           xFract="0.00135427"
                           y3="4.00293"
                           yFract="0.47428081"
                           z3="4.22703"
                           zFract="0.19023537"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00296"
                           xFract="0.00035071"
                           y3="4.11503"
                           yFract="0.4875628"
                           z3="8.50505"
                           zFract="0.38276553"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04828"
                           xFract="0.2426872"
                           y3="6.50878"
                           yFract="0.77118246"
                           z3="4.16179"
                           zFract="0.18729928"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08021"
                           xFract="0.24647038"
                           y3="6.37605"
                           yFract="0.75545616"
                           z3="8.3987"
                           zFract="0.3779793"/>
                     <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="4.06017"
                           xFract="0.4810628"
                           y3="6.33068"
                           yFract="0.75008057"
                           z3="6.25538"
                           zFract="0.28152025"/>
                     <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="6.33451"
                           xFract="0.75053436"
                           y3="4.23013"
                           yFract="0.50120024"
                           z3="6.3635"
                           zFract="0.28638614"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21202"
                           xFract="0.4990545"
                           y3="4.17747"
                           yFract="0.4949609"
                           z3="4.18682"
                           zFract="0.18842574"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22957"
                           xFract="0.50113389"
                           y3="4.17623"
                           yFract="0.49481398"
                           z3="8.53969"
                           zFract="0.38432448"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.4132"
                           xFract="0.75985782"
                           y3="6.45811"
                           yFract="0.76517891"
                           z3="4.27124"
                           zFract="0.19222502"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37107"
                           xFract="0.75486611"
                           y3="6.3362"
                           yFract="0.7507346"
                           z3="8.54423"
                           zFract="0.3845288"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a55" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a55" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a55" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34307"
                           xFract="0.75154858"
                           y3="2.09991"
                           yFract="0.2488045"
                           z3="9.53569"
                           zFract="0.42914896"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11018"
                           xFract="0.25002133"
                           y3="8.43051"
                           yFract="0.99887559"
                           z3="4.1352"
                           zFract="0.18610261"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43447"
                           xFract="0.99934479"
                           y3="2.09163"
                           yFract="0.24782346"
                           z3="4.19233"
                           zFract="0.18867372"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.10105"
                           xFract="0.4859064"
                           y3="2.09048"
                           yFract="0.2476872"
                           z3="8.43922"
                           zFract="0.37980288"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33924"
                           xFract="0.75109479"
                           y3="0.01127"
                           yFract="0.00133531"
                           z3="4.21371"
                           zFract="0.18963591"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02959"
                           xFract="0.00350592"
                           y3="8.4232"
                           yFract="0.99800948"
                           z3="6.30838"
                           zFract="0.28390549"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.11202"
                           xFract="0.01327251"
                           y3="2.08086"
                           yFract="0.24654739"
                           z3="8.46258"
                           zFract="0.38085419"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09228"
                           xFract="0.24790047"
                           y3="6.35932"
                           yFract="0.75347393"
                           z3="6.3145"
                           zFract="0.28418092"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22374"
                           xFract="0.50044313"
                           y3="2.08676"
                           yFract="0.24724645"
                           z3="4.2082"
                           zFract="0.18938794"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34696"
                           xFract="0.75200948"
                           y3="8.31052"
                           yFract="0.98465877"
                           z3="8.36451"
                           zFract="0.37644059"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33997"
                           xFract="0.75118128"
                           y3="4.35189"
                           yFract="0.51562678"
                           z3="8.41206"
                           zFract="0.37858056"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09453"
                           xFract="0.24816706"
                           y3="4.18959"
                           yFract="0.49639692"
                           z3="4.18762"
                           zFract="0.18846175"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09233"
                           xFract="0.2479064"
                           y3="8.42951"
                           yFract="0.99875711"
                           z3="8.60331"
                           zFract="0.38718767"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35171"
                           xFract="0.75257227"
                           y3="6.34361"
                           yFract="0.75161256"
                           z3="6.39611"
                           zFract="0.28785374"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23288"
                           xFract="0.50152607"
                           y3="6.34435"
                           yFract="0.75170024"
                           z3="8.63043"
                           zFract="0.38840819"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35138"
                           xFract="0.75253318"
                           y3="4.21274"
                           yFract="0.49913981"
                           z3="4.19818"
                           zFract="0.18893699"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00961"
                           xFract="0.00113863"
                           y3="6.35854"
                           yFract="0.75338152"
                           z3="8.56542"
                           zFract="0.38548245"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00447"
                           xFract="0.00052962"
                           y3="6.31064"
                           yFract="0.74770616"
                           z3="4.17061"
                           zFract="0.18769622"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17478"
                           xFract="0.49464218"
                           y3="8.38843"
                           yFract="0.99388981"
                           z3="6.38514"
                           zFract="0.28736004"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20259"
                           xFract="0.4979372"
                           y3="4.26611"
                           yFract="0.50546327"
                           z3="6.36916"
                           zFract="0.28664086"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08595"
                           xFract="0.24715047"
                           y3="2.08559"
                           yFract="0.24710782"
                           z3="6.37988"
                           zFract="0.28712331"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01344"
                           xFract="0.00159242"
                           y3="4.26505"
                           yFract="0.50533768"
                           z3="6.36839"
                           zFract="0.28660621"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34702"
                           xFract="0.75201659"
                           y3="2.11238"
                           yFract="0.25028199"
                           z3="6.22861"
                           zFract="0.28031548"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25966"
                           xFract="0.50469905"
                           y3="6.30744"
                           yFract="0.74732701"
                           z3="4.22533"
                           zFract="0.19015887"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11398"
                           xFract="0.25047156"
                           y3="4.24913"
                           yFract="0.50345142"
                           z3="8.49504"
                           zFract="0.38231503"/>
                     <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="-0.00391"
                           xFract="-0.00046327"
                           y3="2.08102"
                           yFract="0.24656635"
                           z3="6.2279"
                           zFract="0.28028353"/>
                     <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="2.0651"
                           xFract="0.24468009"
                           y3="8.40161"
                           yFract="0.99545142"
                           z3="6.03864"
                           zFract="0.27176598"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36326"
                           xFract="0.99090758"
                           y3="0.17575"
                           yFract="0.02082346"
                           z3="4.18416"
                           zFract="0.18830603"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00016"
                           xFract="0.00001896"
                           y3="0.09467"
                           yFract="0.01121682"
                           z3="8.40571"
                           zFract="0.37829478"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13546"
                           xFract="0.25301659"
                           y3="1.9139"
                           yFract="0.2267654"
                           z3="4.15319"
                           zFract="0.18691224"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10779"
                           xFract="0.24973815"
                           y3="2.08665"
                           yFract="0.24723341"
                           z3="8.48258"
                           zFract="0.38175428"/>
                     <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="4.21607"
                           xFract="0.49953436"
                           y3="2.11032"
                           yFract="0.25003791"
                           z3="6.34279"
                           zFract="0.2854541"/>
                     <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="6.36274"
                           xFract="0.75387915"
                           y3="0.00966"
                           yFract="0.00114455"
                           z3="6.33129"
                           zFract="0.28493654"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30049"
                           xFract="0.50953673"
                           y3="0.0025"
                           yFract="0.00029621"
                           z3="4.23327"
                           zFract="0.1905162"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24677"
                           xFract="0.5031718"
                           y3="0.0448"
                           yFract="0.00530806"
                           z3="8.49904"
                           zFract="0.38249505"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29519"
                           xFract="0.74587559"
                           y3="1.99271"
                           yFract="0.23610308"
                           z3="4.25227"
                           zFract="0.19137129"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33533"
                           xFract="0.75063152"
                           y3="2.10504"
                           yFract="0.24941232"
                           z3="8.56392"
                           zFract="0.38541494"/>
                     <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="0.13724"
                           xFract="0.01626066"
                           y3="6.36611"
                           yFract="0.75427844"
                           z3="6.17753"
                           zFract="0.27801665"/>
                     <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="2.09829"
                           xFract="0.24861256"
                           y3="4.27365"
                           yFract="0.50635664"
                           z3="6.25771"
                           zFract="0.28162511"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.01096"
                           xFract="0.00129858"
                           y3="4.00341"
                           yFract="0.47433768"
                           z3="4.22978"
                           zFract="0.19035914"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00416"
                           xFract="-0.00049289"
                           y3="4.11145"
                           yFract="0.48713863"
                           z3="8.50786"
                           zFract="0.38289199"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04795"
                           xFract="0.2426481"
                           y3="6.50902"
                           yFract="0.7712109"
                           z3="4.16179"
                           zFract="0.18729928"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07954"
                           xFract="0.246391"
                           y3="6.37255"
                           yFract="0.75504147"
                           z3="8.39968"
                           zFract="0.3780234"/>
                     <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="4.06168"
                           xFract="0.48124171"
                           y3="6.33008"
                           yFract="0.75000948"
                           z3="6.25665"
                           zFract="0.28157741"/>
                     <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="6.33388"
                           xFract="0.75045972"
                           y3="4.21839"
                           yFract="0.49980924"
                           z3="6.37279"
                           zFract="0.28680423"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2125"
                           xFract="0.49911137"
                           y3="4.17755"
                           yFract="0.49497038"
                           z3="4.1878"
                           zFract="0.18846985"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2367"
                           xFract="0.50197867"
                           y3="4.17193"
                           yFract="0.4943045"
                           z3="8.54303"
                           zFract="0.3844748"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41332"
                           xFract="0.75987204"
                           y3="6.45636"
                           yFract="0.76497156"
                           z3="4.27213"
                           zFract="0.19226508"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37147"
                           xFract="0.75491351"
                           y3="6.33561"
                           yFract="0.75066469"
                           z3="8.54808"
                           zFract="0.38470207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34338"
                           xFract="0.75158531"
                           y3="2.09985"
                           yFract="0.24879739"
                           z3="9.54388"
                           zFract="0.42951755"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11007"
                           xFract="0.25000829"
                           y3="8.43074"
                           yFract="0.99890284"
                           z3="4.13555"
                           zFract="0.18611836"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43555"
                           xFract="0.99947275"
                           y3="2.09188"
                           yFract="0.24785308"
                           z3="4.1919"
                           zFract="0.18865437"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.10192"
                           xFract="0.48600948"
                           y3="2.09039"
                           yFract="0.24767654"
                           z3="8.4365"
                           zFract="0.37968047"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33956"
                           xFract="0.7511327"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="4.21415"
                           zFract="0.18965572"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02861"
                           xFract="0.00338981"
                           y3="8.42369"
                           yFract="0.99806754"
                           z3="6.30914"
                           zFract="0.28393969"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.11025"
                           xFract="0.0130628"
                           y3="2.0808"
                           yFract="0.24654028"
                           z3="8.46126"
                           zFract="0.38079478"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09208"
                           xFract="0.24787678"
                           y3="6.35901"
                           yFract="0.7534372"
                           z3="6.31523"
                           zFract="0.28421377"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.22278"
                           xFract="0.50032938"
                           y3="2.08677"
                           yFract="0.24724763"
                           z3="4.20739"
                           zFract="0.18935149"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34706"
                           xFract="0.75202133"
                           y3="8.31148"
                           yFract="0.98477251"
                           z3="8.36239"
                           zFract="0.37634518"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33983"
                           xFract="0.75116469"
                           y3="4.35167"
                           yFract="0.51560071"
                           z3="8.40998"
                           zFract="0.37848695"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09445"
                           xFract="0.24815758"
                           y3="4.18965"
                           yFract="0.49640403"
                           z3="4.18778"
                           zFract="0.18846895"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09241"
                           xFract="0.24791588"
                           y3="8.4268"
                           yFract="0.99843602"
                           z3="8.60415"
                           zFract="0.38722547"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35191"
                           xFract="0.75259597"
                           y3="6.34345"
                           yFract="0.7515936"
                           z3="6.39239"
                           zFract="0.28768632"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.23082"
                           xFract="0.50128199"
                           y3="6.34472"
                           yFract="0.75174408"
                           z3="8.63076"
                           zFract="0.38842304"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35163"
                           xFract="0.7525628"
                           y3="4.21389"
                           yFract="0.49927607"
                           z3="4.19821"
                           zFract="0.18893834"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01159"
                           xFract="0.00137322"
                           y3="6.35892"
                           yFract="0.75342654"
                           z3="8.56577"
                           zFract="0.3854982"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00437"
                           xFract="0.00051777"
                           y3="6.31063"
                           yFract="0.74770498"
                           z3="4.17037"
                           zFract="0.18768542"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17541"
                           xFract="0.49471682"
                           y3="8.38894"
                           yFract="0.99395024"
                           z3="6.38578"
                           zFract="0.28738884"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20344"
                           xFract="0.49803791"
                           y3="4.26552"
                           yFract="0.50539336"
                           z3="6.3694"
                           zFract="0.28665167"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08567"
                           xFract="0.2471173"
                           y3="2.08547"
                           yFract="0.2470936"
                           z3="6.37682"
                           zFract="0.2869856"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01265"
                           xFract="0.00149882"
                           y3="4.26485"
                           yFract="0.50531398"
                           z3="6.36888"
                           zFract="0.28662826"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3467"
                           xFract="0.75197867"
                           y3="2.1131"
                           yFract="0.2503673"
                           z3="6.22853"
                           zFract="0.28031188"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25982"
                           xFract="0.50471801"
                           y3="6.30762"
                           yFract="0.74734834"
                           z3="4.22525"
                           zFract="0.19015527"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1139"
                           xFract="0.25046209"
                           y3="4.25212"
                           yFract="0.50380569"
                           z3="8.49475"
                           zFract="0.38230198"/>
                     <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="-0.00307"
                           xFract="-0.00036374"
                           y3="2.08068"
                           yFract="0.24652607"
                           z3="6.22915"
                           zFract="0.28033978"/>
                     <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="2.06528"
                           xFract="0.24470142"
                           y3="8.40275"
                           yFract="0.99558649"
                           z3="6.03918"
                           zFract="0.27179028"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36267"
                           xFract="0.99083768"
                           y3="0.17545"
                           yFract="0.02078791"
                           z3="4.18396"
                           zFract="0.18829703"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00028"
                           xFract="0.00003318"
                           y3="0.0942"
                           yFract="0.01116114"
                           z3="8.40642"
                           zFract="0.37832673"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13562"
                           xFract="0.25303555"
                           y3="1.91405"
                           yFract="0.22678318"
                           z3="4.15385"
                           zFract="0.18694194"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1077"
                           xFract="0.24972749"
                           y3="2.08916"
                           yFract="0.24753081"
                           z3="8.48397"
                           zFract="0.38181683"/>
                     <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="4.21639"
                           xFract="0.49957227"
                           y3="2.11031"
                           yFract="0.25003673"
                           z3="6.34462"
                           zFract="0.28553645"/>
                     <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="6.36254"
                           xFract="0.75385545"
                           y3="0.01173"
                           yFract="0.00138981"
                           z3="6.33223"
                           zFract="0.28497885"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30096"
                           xFract="0.50959242"
                           y3="0.00263"
                           yFract="0.00031161"
                           z3="4.23312"
                           zFract="0.19050945"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24738"
                           xFract="0.50324408"
                           y3="0.04476"
                           yFract="0.00530332"
                           z3="8.49919"
                           zFract="0.3825018"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29423"
                           xFract="0.74576185"
                           y3="1.9934"
                           yFract="0.23618483"
                           z3="4.24343"
                           zFract="0.19097345"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33545"
                           xFract="0.75064573"
                           y3="2.10489"
                           yFract="0.24939455"
                           z3="8.57063"
                           zFract="0.38571692"/>
                     <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="0.13623"
                           xFract="0.016141"
                           y3="6.36613"
                           yFract="0.75428081"
                           z3="6.17713"
                           zFract="0.27799865"/>
                     <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="2.09855"
                           xFract="0.24864336"
                           y3="4.27194"
                           yFract="0.50615403"
                           z3="6.25857"
                           zFract="0.28166382"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0106"
                           xFract="0.00125592"
                           y3="4.0034"
                           yFract="0.47433649"
                           z3="4.23015"
                           zFract="0.19037579"/>
                     <atom elementType="O"
                           id="a68"
                           x3="-0.00295"
                           xFract="-0.00034953"
                           y3="4.11106"
                           yFract="0.48709242"
                           z3="8.50812"
                           zFract="0.38290369"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04795"
                           xFract="0.2426481"
                           y3="6.50895"
                           yFract="0.77120261"
                           z3="4.16188"
                           zFract="0.18730333"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0793"
                           xFract="0.24636256"
                           y3="6.37076"
                           yFract="0.75482938"
                           z3="8.39959"
                           zFract="0.37801935"/>
                     <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="4.06316"
                           xFract="0.48141706"
                           y3="6.33004"
                           yFract="0.75000474"
                           z3="6.2567"
                           zFract="0.28157966"/>
                     <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="6.33381"
                           xFract="0.75045142"
                           y3="4.21593"
                           yFract="0.49951777"
                           z3="6.37308"
                           zFract="0.28681728"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21287"
                           xFract="0.49915521"
                           y3="4.17754"
                           yFract="0.49496919"
                           z3="4.18742"
                           zFract="0.18845275"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23559"
                           xFract="0.50184716"
                           y3="4.17153"
                           yFract="0.49425711"
                           z3="8.54367"
                           zFract="0.3845036"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41305"
                           xFract="0.75984005"
                           y3="6.45536"
                           yFract="0.76485308"
                           z3="4.27268"
                           zFract="0.19228983"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3719"
                           xFract="0.75496445"
                           y3="6.33537"
                           yFract="0.75063626"
                           z3="8.54969"
                           zFract="0.38477453"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34434"
                           xFract="0.75169905"
                           y3="2.09969"
                           yFract="0.24877844"
                           z3="9.56843"
                           zFract="0.43062241"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10974"
                           xFract="0.24996919"
                           y3="8.43144"
                           yFract="0.99898578"
                           z3="4.13662"
                           zFract="0.18616652"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="8.43879"
                           xFract="0.99985664"
                           y3="2.09262"
                           yFract="0.24794076"
                           z3="4.1906"
                           zFract="0.18859586"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.10451"
                           xFract="0.48631635"
                           y3="2.09012"
                           yFract="0.24764455"
                           z3="8.42836"
                           zFract="0.37931413"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34053"
                           xFract="0.75124763"
                           y3="0.0052"
                           yFract="0.00061611"
                           z3="4.21546"
                           zFract="0.18971467"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02567"
                           xFract="0.00304147"
                           y3="8.42518"
                           yFract="0.99824408"
                           z3="6.3114"
                           zFract="0.2840414"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.10494"
                           xFract="0.01243365"
                           y3="2.0806"
                           yFract="0.24651659"
                           z3="8.45731"
                           zFract="0.38061701"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09146"
                           xFract="0.24780332"
                           y3="6.35807"
                           yFract="0.75332583"
                           z3="6.31743"
                           zFract="0.28431278"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21989"
                           xFract="0.49998697"
                           y3="2.08681"
                           yFract="0.24725237"
                           z3="4.20496"
                           zFract="0.18924212"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34735"
                           xFract="0.75205569"
                           y3="8.31434"
                           yFract="0.98511137"
                           z3="8.35606"
                           zFract="0.37606031"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33941"
                           xFract="0.75111493"
                           y3="4.35101"
                           yFract="0.51552251"
                           z3="8.40371"
                           zFract="0.37820477"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0942"
                           xFract="0.24812796"
                           y3="4.18984"
                           yFract="0.49642654"
                           z3="4.18824"
                           zFract="0.18848965"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09265"
                           xFract="0.24794431"
                           y3="8.41865"
                           yFract="0.99747038"
                           z3="8.60666"
                           zFract="0.38733843"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35253"
                           xFract="0.75266943"
                           y3="6.34297"
                           yFract="0.75153673"
                           z3="6.38125"
                           zFract="0.28718497"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.22465"
                           xFract="0.50055095"
                           y3="6.34583"
                           yFract="0.75187559"
                           z3="8.63175"
                           zFract="0.3884676"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35241"
                           xFract="0.75265521"
                           y3="4.21735"
                           yFract="0.49968602"
                           z3="4.19831"
                           zFract="0.18894284"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01752"
                           xFract="0.00207583"
                           y3="6.36005"
                           yFract="0.75356043"
                           z3="8.56683"
                           zFract="0.3855459"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00407"
                           xFract="0.00048223"
                           y3="6.31061"
                           yFract="0.74770261"
                           z3="4.16965"
                           zFract="0.18765302"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17729"
                           xFract="0.49493957"
                           y3="8.39049"
                           yFract="0.99413389"
                           z3="6.38769"
                           zFract="0.2874748"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20601"
                           xFract="0.49834242"
                           y3="4.26372"
                           yFract="0.50518009"
                           z3="6.37011"
                           zFract="0.28668362"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08482"
                           xFract="0.24701659"
                           y3="2.08512"
                           yFract="0.24705213"
                           z3="6.36763"
                           zFract="0.28657201"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01028"
                           xFract="0.00121801"
                           y3="4.26425"
                           yFract="0.50524289"
                           z3="6.37036"
                           zFract="0.28669487"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34575"
                           xFract="0.75186611"
                           y3="2.11525"
                           yFract="0.25062204"
                           z3="6.22831"
                           zFract="0.28030198"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26031"
                           xFract="0.50477607"
                           y3="6.30814"
                           yFract="0.74740995"
                           z3="4.22503"
                           zFract="0.19014536"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11366"
                           xFract="0.25043365"
                           y3="4.26109"
                           yFract="0.50486848"
                           z3="8.49388"
                           zFract="0.38226283"/>
                     <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="-0.00055"
                           xFract="-0.00006517"
                           y3="2.07965"
                           yFract="0.24640403"
                           z3="6.23291"
                           zFract="0.280509"/>
                     <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="2.06584"
                           xFract="0.24476777"
                           y3="8.40618"
                           yFract="0.99599289"
                           z3="6.04081"
                           zFract="0.27186364"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36091"
                           xFract="0.99062915"
                           y3="0.17454"
                           yFract="0.02068009"
                           z3="4.18335"
                           zFract="0.18826958"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00064"
                           xFract="0.00007583"
                           y3="0.09281"
                           yFract="0.01099645"
                           z3="8.40855"
                           zFract="0.37842259"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1361"
                           xFract="0.25309242"
                           y3="1.91451"
                           yFract="0.22683768"
                           z3="4.15583"
                           zFract="0.18703105"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10744"
                           xFract="0.24969668"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="8.48814"
                           zFract="0.3820045"/>
                     <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="4.21734"
                           xFract="0.49968483"
                           y3="2.11028"
                           yFract="0.25003318"
                           z3="6.35012"
                           zFract="0.28578398"/>
                     <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="6.36193"
                           xFract="0.75378318"
                           y3="0.01792"
                           yFract="0.00212322"
                           z3="6.33508"
                           zFract="0.28510711"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30235"
                           xFract="0.50975711"
                           y3="0.00302"
                           yFract="0.00035782"
                           z3="4.23265"
                           zFract="0.1904883"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24923"
                           xFract="0.50346327"
                           y3="0.04464"
                           yFract="0.0052891"
                           z3="8.49965"
                           zFract="0.3825225"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29136"
                           xFract="0.7454218"
                           y3="1.99547"
                           yFract="0.23643009"
                           z3="4.21693"
                           zFract="0.18978083"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3358"
                           xFract="0.7506872"
                           y3="2.10444"
                           yFract="0.24934123"
                           z3="8.59077"
                           zFract="0.38662331"/>
                     <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="0.13317"
                           xFract="0.01577844"
                           y3="6.36619"
                           yFract="0.75428791"
                           z3="6.17592"
                           zFract="0.27794419"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09932"
                           xFract="0.2487346"
                           y3="4.26682"
                           yFract="0.50554739"
                           z3="6.26114"
                           zFract="0.28177948"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00954"
                           xFract="0.00113033"
                           y3="4.00335"
                           yFract="0.47433057"
                           z3="4.23124"
                           zFract="0.19042484"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00068"
                           xFract="0.00008057"
                           y3="4.10987"
                           yFract="0.48695142"
                           z3="8.50889"
                           zFract="0.38293834"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04795"
                           xFract="0.2426481"
                           y3="6.50874"
                           yFract="0.77117773"
                           z3="4.16216"
                           zFract="0.18731593"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07858"
                           xFract="0.24627725"
                           y3="6.3654"
                           yFract="0.75419431"
                           z3="8.39935"
                           zFract="0.37800855"/>
                     <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="4.06762"
                           xFract="0.4819455"
                           y3="6.3299"
                           yFract="0.74998815"
                           z3="6.25683"
                           zFract="0.28158551"/>
                     <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="6.33359"
                           xFract="0.75042536"
                           y3="4.20854"
                           yFract="0.49864218"
                           z3="6.37395"
                           zFract="0.28685644"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21398"
                           xFract="0.49928673"
                           y3="4.1775"
                           yFract="0.49496445"
                           z3="4.18626"
                           zFract="0.18840054"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23223"
                           xFract="0.50144905"
                           y3="4.17035"
                           yFract="0.4941173"
                           z3="8.54561"
                           zFract="0.38459091"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41221"
                           xFract="0.75974052"
                           y3="6.45233"
                           yFract="0.76449408"
                           z3="4.27435"
                           zFract="0.19236499"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37319"
                           xFract="0.7551173"
                           y3="6.33463"
                           yFract="0.75054858"
                           z3="8.55452"
                           zFract="0.3849919"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a47" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34624"
                           xFract="0.75192417"
                           y3="2.09938"
                           yFract="0.24874171"
                           z3="9.61753"
                           zFract="0.43283213"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10908"
                           xFract="0.249891"
                           y3="8.43284"
                           yFract="0.99915166"
                           z3="4.13876"
                           zFract="0.18626283"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00528"
                           xFract="0.00062559"
                           y3="2.09412"
                           yFract="0.24811848"
                           z3="4.18801"
                           zFract="0.1884793"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.10969"
                           xFract="0.48693009"
                           y3="2.08957"
                           yFract="0.24757938"
                           z3="8.41206"
                           zFract="0.37858056"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34247"
                           xFract="0.75147749"
                           y3="-0.00391"
                           yFract="-0.00046327"
                           z3="4.21808"
                           zFract="0.18983258"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01979"
                           xFract="0.00234479"
                           y3="8.42815"
                           yFract="0.99859597"
                           z3="6.31592"
                           zFract="0.28424482"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.09432"
                           xFract="0.01117536"
                           y3="2.08021"
                           yFract="0.24647038"
                           z3="8.4494"
                           zFract="0.38026103"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09023"
                           xFract="0.24765758"
                           y3="6.35619"
                           yFract="0.75310308"
                           z3="6.32182"
                           zFract="0.28451035"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21412"
                           xFract="0.49930332"
                           y3="2.08689"
                           yFract="0.24726185"
                           z3="4.2001"
                           zFract="0.1890234"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34793"
                           xFract="0.75212441"
                           y3="8.32007"
                           yFract="0.98579028"
                           z3="8.34339"
                           zFract="0.3754901"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33858"
                           xFract="0.75101659"
                           y3="4.34968"
                           yFract="0.51536493"
                           z3="8.39117"
                           zFract="0.37764041"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0937"
                           xFract="0.24806872"
                           y3="4.1902"
                           yFract="0.49646919"
                           z3="4.18918"
                           zFract="0.18853195"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09315"
                           xFract="0.24800355"
                           y3="8.40235"
                           yFract="0.9955391"
                           z3="8.61169"
                           zFract="0.38756481"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35376"
                           xFract="0.75281517"
                           y3="6.3420"
                           yFract="0.7514218"
                           z3="6.35895"
                           zFract="0.28618137"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21232"
                           xFract="0.49909005"
                           y3="6.34805"
                           yFract="0.75213863"
                           z3="8.63373"
                           zFract="0.38855671"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35395"
                           xFract="0.75283768"
                           y3="4.22425"
                           yFract="0.50050355"
                           z3="4.1985"
                           zFract="0.1889514"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02937"
                           xFract="0.00347986"
                           y3="6.3623"
                           yFract="0.75382701"
                           z3="8.56896"
                           zFract="0.38564176"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00346"
                           xFract="0.00040995"
                           y3="6.31058"
                           yFract="0.74769905"
                           z3="4.1682"
                           zFract="0.18758776"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18107"
                           xFract="0.49538744"
                           y3="8.39358"
                           yFract="0.9945"
                           z3="6.39151"
                           zFract="0.28764671"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21114"
                           xFract="0.49895024"
                           y3="4.26013"
                           yFract="0.50475474"
                           z3="6.37153"
                           zFract="0.28674752"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08313"
                           xFract="0.24681635"
                           y3="2.08443"
                           yFract="0.24697038"
                           z3="6.34924"
                           zFract="0.28574437"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00554"
                           xFract="0.0006564"
                           y3="4.26304"
                           yFract="0.50509953"
                           z3="6.37331"
                           zFract="0.28682763"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34383"
                           xFract="0.75163863"
                           y3="2.11955"
                           yFract="0.25113152"
                           z3="6.22785"
                           zFract="0.28028128"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.26129"
                           xFract="0.50489218"
                           y3="6.30917"
                           yFract="0.74753199"
                           z3="4.22457"
                           zFract="0.19012466"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11317"
                           xFract="0.25037559"
                           y3="4.27902"
                           yFract="0.50699289"
                           z3="8.49214"
                           zFract="0.38218452"/>
                     <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="0.00449"
                           xFract="0.00053199"
                           y3="2.07761"
                           yFract="0.24616232"
                           z3="6.24041"
                           zFract="0.28084653"/>
                     <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="2.06695"
                           xFract="0.24489929"
                           y3="8.41304"
                           yFract="0.99680569"
                           z3="6.04406"
                           zFract="0.2720099"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35739"
                           xFract="0.99021209"
                           y3="0.17273"
                           yFract="0.02046564"
                           z3="4.18212"
                           zFract="0.18821422"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00135"
                           xFract="0.00015995"
                           y3="0.09004"
                           yFract="0.01066825"
                           z3="8.4128"
                           zFract="0.37861386"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13707"
                           xFract="0.25320735"
                           y3="1.91543"
                           yFract="0.22694668"
                           z3="4.15979"
                           zFract="0.18720927"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10691"
                           xFract="0.24963389"
                           y3="2.1117"
                           yFract="0.25020142"
                           z3="8.49648"
                           zFract="0.38237984"/>
                     <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="4.21925"
                           xFract="0.49991114"
                           y3="2.11022"
                           yFract="0.25002607"
                           z3="6.36112"
                           zFract="0.28627903"/>
                     <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="6.36072"
                           xFract="0.75363981"
                           y3="0.0303"
                           yFract="0.00359005"
                           z3="6.34076"
                           zFract="0.28536274"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30514"
                           xFract="0.51008768"
                           y3="0.00381"
                           yFract="0.00045142"
                           z3="4.23172"
                           zFract="0.19044644"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25292"
                           xFract="0.50390047"
                           y3="0.04441"
                           yFract="0.00526185"
                           z3="8.50057"
                           zFract="0.38256391"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28563"
                           xFract="0.74474289"
                           y3="1.9996"
                           yFract="0.23691943"
                           z3="4.16393"
                           zFract="0.18739559"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3365"
                           xFract="0.75077014"
                           y3="2.10354"
                           yFract="0.2492346"
                           z3="8.63105"
                           zFract="0.38843609"/>
                     <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="0.12707"
                           xFract="0.01505569"
                           y3="6.3663"
                           yFract="0.75430095"
                           z3="6.1735"
                           zFract="0.27783528"/>
                     <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="2.10086"
                           xFract="0.24891706"
                           y3="4.25658"
                           yFract="0.50433412"
                           z3="6.26628"
                           zFract="0.2820108"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0074"
                           xFract="0.00087678"
                           y3="4.00326"
                           yFract="0.47431991"
                           z3="4.23343"
                           zFract="0.1905234"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00796"
                           xFract="0.00094313"
                           y3="4.10749"
                           yFract="0.48666943"
                           z3="8.51044"
                           zFract="0.3830081"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04793"
                           xFract="0.24264573"
                           y3="6.50832"
                           yFract="0.77112796"
                           z3="4.16272"
                           zFract="0.18734113"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07713"
                           xFract="0.24610545"
                           y3="6.35468"
                           yFract="0.75292417"
                           z3="8.39886"
                           zFract="0.3779865"/>
                     <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="4.07653"
                           xFract="0.48300118"
                           y3="6.32963"
                           yFract="0.74995616"
                           z3="6.25708"
                           zFract="0.28159676"/>
                     <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="6.33316"
                           xFract="0.75037441"
                           y3="4.19377"
                           yFract="0.49689218"
                           z3="6.37568"
                           zFract="0.28693429"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21619"
                           xFract="0.49954858"
                           y3="4.17741"
                           yFract="0.49495379"
                           z3="4.18396"
                           zFract="0.18829703"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22552"
                           xFract="0.50065403"
                           y3="4.16797"
                           yFract="0.49383531"
                           z3="8.54949"
                           zFract="0.38476553"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41055"
                           xFract="0.75954384"
                           y3="6.44628"
                           yFract="0.76377725"
                           z3="4.27767"
                           zFract="0.1925144"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37577"
                           xFract="0.75542299"
                           y3="6.33317"
                           yFract="0.75037559"
                           z3="8.56419"
                           zFract="0.38542709"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34637"
                           xFract="0.75193957"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="9.62454"
                           zFract="0.43314761"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10885"
                           xFract="0.24986374"
                           y3="8.43172"
                           yFract="0.99901896"
                           z3="4.13977"
                           zFract="0.18630828"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00493"
                           xFract="0.00058412"
                           y3="2.09291"
                           yFract="0.24797512"
                           z3="4.18763"
                           zFract="0.1884622"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.11111"
                           xFract="0.48709834"
                           y3="2.09048"
                           yFract="0.2476872"
                           z3="8.40944"
                           zFract="0.37846265"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34236"
                           xFract="0.75146445"
                           y3="-0.00213"
                           yFract="-0.00025237"
                           z3="4.21725"
                           zFract="0.18979523"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01971"
                           xFract="0.00233531"
                           y3="8.42799"
                           yFract="0.99857701"
                           z3="6.31726"
                           zFract="0.28430513"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.09157"
                           xFract="0.01084953"
                           y3="2.08067"
                           yFract="0.24652488"
                           z3="8.4464"
                           zFract="0.38012601"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09087"
                           xFract="0.24773341"
                           y3="6.35573"
                           yFract="0.75304858"
                           z3="6.32158"
                           zFract="0.28449955"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21354"
                           xFract="0.4992346"
                           y3="2.08687"
                           yFract="0.24725948"
                           z3="4.19865"
                           zFract="0.18895815"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34821"
                           xFract="0.75215758"
                           y3="8.32171"
                           yFract="0.9859846"
                           z3="8.3442"
                           zFract="0.37552655"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3381"
                           xFract="0.75095972"
                           y3="4.34774"
                           yFract="0.51513507"
                           z3="8.39165"
                           zFract="0.37766202"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09363"
                           xFract="0.24806043"
                           y3="4.19155"
                           yFract="0.49662915"
                           z3="4.19062"
                           zFract="0.18859676"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09276"
                           xFract="0.24795735"
                           y3="8.39996"
                           yFract="0.99525592"
                           z3="8.61336"
                           zFract="0.38763996"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35415"
                           xFract="0.75286137"
                           y3="6.34152"
                           yFract="0.75136493"
                           z3="6.3542"
                           zFract="0.2859676"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21061"
                           xFract="0.49888744"
                           y3="6.34837"
                           yFract="0.75217654"
                           z3="8.63476"
                           zFract="0.38860306"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35433"
                           xFract="0.7528827"
                           y3="4.2258"
                           yFract="0.5006872"
                           z3="4.19829"
                           zFract="0.18894194"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02992"
                           xFract="0.00354502"
                           y3="6.36283"
                           yFract="0.75388981"
                           z3="8.57035"
                           zFract="0.38570432"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00441"
                           xFract="0.00052251"
                           y3="6.31063"
                           yFract="0.74770498"
                           z3="4.16771"
                           zFract="0.18756571"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18147"
                           xFract="0.49543483"
                           y3="8.39298"
                           yFract="0.99442891"
                           z3="6.39253"
                           zFract="0.28769262"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21124"
                           xFract="0.49896209"
                           y3="4.26041"
                           yFract="0.50478791"
                           z3="6.37255"
                           zFract="0.28679343"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08297"
                           xFract="0.24679739"
                           y3="2.08553"
                           yFract="0.24710071"
                           z3="6.34685"
                           zFract="0.28563681"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00574"
                           xFract="0.00068009"
                           y3="4.2632"
                           yFract="0.50511848"
                           z3="6.37504"
                           zFract="0.28690549"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3442"
                           xFract="0.75168246"
                           y3="2.1196"
                           yFract="0.25113744"
                           z3="6.22065"
                           zFract="0.27995725"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25991"
                           xFract="0.50472867"
                           y3="6.30959"
                           yFract="0.74758175"
                           z3="4.22501"
                           zFract="0.19014446"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11331"
                           xFract="0.25039218"
                           y3="4.28039"
                           yFract="0.50715521"
                           z3="8.49214"
                           zFract="0.38218452"/>
                     <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="0.00323"
                           xFract="0.0003827"
                           y3="2.07675"
                           yFract="0.24606043"
                           z3="6.24311"
                           zFract="0.28096805"/>
                     <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="2.06705"
                           xFract="0.24491114"
                           y3="8.41458"
                           yFract="0.99698815"
                           z3="6.0453"
                           zFract="0.27206571"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3566"
                           xFract="0.99011848"
                           y3="0.17284"
                           yFract="0.02047867"
                           z3="4.1823"
                           zFract="0.18822232"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00383"
                           xFract="0.00045379"
                           y3="0.0890"
                           yFract="0.01054502"
                           z3="8.41342"
                           zFract="0.37864176"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13766"
                           xFract="0.25327725"
                           y3="1.91602"
                           yFract="0.22701659"
                           z3="4.15987"
                           zFract="0.18721287"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10704"
                           xFract="0.24964929"
                           y3="2.11441"
                           yFract="0.25052251"
                           z3="8.49826"
                           zFract="0.38245995"/>
                     <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="4.22127"
                           xFract="0.50015047"
                           y3="2.10985"
                           yFract="0.24998223"
                           z3="6.36092"
                           zFract="0.28627003"/>
                     <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="6.36045"
                           xFract="0.75360782"
                           y3="0.03948"
                           yFract="0.00467773"
                           z3="6.33979"
                           zFract="0.28531908"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.3063"
                           xFract="0.51022512"
                           y3="0.00401"
                           yFract="0.00047512"
                           z3="4.23199"
                           zFract="0.1904586"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.25152"
                           xFract="0.5037346"
                           y3="0.04362"
                           yFract="0.00516825"
                           z3="8.50015"
                           zFract="0.382545"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2851"
                           xFract="0.74468009"
                           y3="1.99979"
                           yFract="0.23694194"
                           z3="4.15403"
                           zFract="0.18695005"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33747"
                           xFract="0.75088507"
                           y3="2.10298"
                           yFract="0.24916825"
                           z3="8.66204"
                           zFract="0.38983078"/>
                     <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="0.12283"
                           xFract="0.01455332"
                           y3="6.36635"
                           yFract="0.75430687"
                           z3="6.17251"
                           zFract="0.27779073"/>
                     <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="2.10136"
                           xFract="0.2489763"
                           y3="4.25292"
                           yFract="0.50390047"
                           z3="6.26603"
                           zFract="0.28199955"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00707"
                           xFract="0.00083768"
                           y3="4.0035"
                           yFract="0.47434834"
                           z3="4.23419"
                           zFract="0.19055761"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00916"
                           xFract="0.00108531"
                           y3="4.10743"
                           yFract="0.48666232"
                           z3="8.50935"
                           zFract="0.38295905"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04808"
                           xFract="0.24266351"
                           y3="6.50864"
                           yFract="0.77116588"
                           z3="4.16354"
                           zFract="0.18737804"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07723"
                           xFract="0.2461173"
                           y3="6.35344"
                           yFract="0.75277725"
                           z3="8.39905"
                           zFract="0.37799505"/>
                     <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="4.08132"
                           xFract="0.48356872"
                           y3="6.32926"
                           yFract="0.74991232"
                           z3="6.25676"
                           zFract="0.28158236"/>
                     <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="6.33294"
                           xFract="0.75034834"
                           y3="4.18517"
                           yFract="0.49587322"
                           z3="6.37542"
                           zFract="0.28692259"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21676"
                           xFract="0.49961611"
                           y3="4.17711"
                           yFract="0.49491825"
                           z3="4.18372"
                           zFract="0.18828623"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22378"
                           xFract="0.50044787"
                           y3="4.16822"
                           yFract="0.49386493"
                           z3="8.5492"
                           zFract="0.38475248"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41018"
                           xFract="0.7595"
                           y3="6.44315"
                           yFract="0.7634064"
                           z3="4.27894"
                           zFract="0.19257156"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37725"
                           xFract="0.75559834"
                           y3="6.33378"
                           yFract="0.75044787"
                           z3="8.5642"
                           zFract="0.38542754"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3464"
                           xFract="0.75194313"
                           y3="2.09943"
                           yFract="0.24874763"
                           z3="9.62613"
                           zFract="0.43321917"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1088"
                           xFract="0.24985782"
                           y3="8.43147"
                           yFract="0.99898934"
                           z3="4.1400"
                           zFract="0.18631863"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00485"
                           xFract="0.00057464"
                           y3="2.09264"
                           yFract="0.24794313"
                           z3="4.18755"
                           zFract="0.1884586"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.11143"
                           xFract="0.48713626"
                           y3="2.09069"
                           yFract="0.24771209"
                           z3="8.40884"
                           zFract="0.37843564"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34233"
                           xFract="0.7514609"
                           y3="-0.00173"
                           yFract="-0.00020498"
                           z3="4.21707"
                           zFract="0.18978713"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.01969"
                           xFract="0.00233294"
                           y3="8.42796"
                           yFract="0.99857346"
                           z3="6.31756"
                           zFract="0.28431863"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.09094"
                           xFract="0.01077488"
                           y3="2.08078"
                           yFract="0.24653791"
                           z3="8.44572"
                           zFract="0.38009541"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09101"
                           xFract="0.24775"
                           y3="6.35562"
                           yFract="0.75303555"
                           z3="6.32153"
                           zFract="0.2844973"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21341"
                           xFract="0.49921919"
                           y3="2.08686"
                           yFract="0.24725829"
                           z3="4.19832"
                           zFract="0.18894329"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34828"
                           xFract="0.75216588"
                           y3="8.32208"
                           yFract="0.98602844"
                           z3="8.34439"
                           zFract="0.3755351"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33799"
                           xFract="0.75094668"
                           y3="4.3473"
                           yFract="0.51508294"
                           z3="8.39176"
                           zFract="0.37766697"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09361"
                           xFract="0.24805806"
                           y3="4.19185"
                           yFract="0.49666469"
                           z3="4.19094"
                           zFract="0.18861116"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09268"
                           xFract="0.24794787"
                           y3="8.39942"
                           yFract="0.99519194"
                           z3="8.61374"
                           zFract="0.38765707"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35423"
                           xFract="0.75287085"
                           y3="6.34141"
                           yFract="0.7513519"
                           z3="6.35312"
                           zFract="0.28591899"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21023"
                           xFract="0.49884242"
                           y3="6.34845"
                           yFract="0.75218602"
                           z3="8.63499"
                           zFract="0.38861341"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35442"
                           xFract="0.75289336"
                           y3="4.22615"
                           yFract="0.50072867"
                           z3="4.19824"
                           zFract="0.18893969"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.03004"
                           xFract="0.00355924"
                           y3="6.36295"
                           yFract="0.75390403"
                           z3="8.57067"
                           zFract="0.38571872"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00462"
                           xFract="0.00054739"
                           y3="6.31064"
                           yFract="0.74770616"
                           z3="4.16759"
                           zFract="0.18756031"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18156"
                           xFract="0.4954455"
                           y3="8.39284"
                           yFract="0.99441232"
                           z3="6.39276"
                           zFract="0.28770297"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21127"
                           xFract="0.49896564"
                           y3="4.26047"
                           yFract="0.50479502"
                           z3="6.37278"
                           zFract="0.28680378"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08294"
                           xFract="0.24679384"
                           y3="2.08578"
                           yFract="0.24713033"
                           z3="6.34631"
                           zFract="0.28561251"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00579"
                           xFract="0.00068602"
                           y3="4.26324"
                           yFract="0.50512322"
                           z3="6.37543"
                           zFract="0.28692304"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34428"
                           xFract="0.75169194"
                           y3="2.11961"
                           yFract="0.25113863"
                           z3="6.21901"
                           zFract="0.27988344"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2596"
                           xFract="0.50469194"
                           y3="6.30968"
                           yFract="0.74759242"
                           z3="4.22511"
                           zFract="0.19014896"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11334"
                           xFract="0.25039573"
                           y3="4.2807"
                           yFract="0.50719194"
                           z3="8.49214"
                           zFract="0.38218452"/>
                     <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="0.00294"
                           xFract="0.00034834"
                           y3="2.07656"
                           yFract="0.24603791"
                           z3="6.24373"
                           zFract="0.28099595"/>
                     <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="2.06707"
                           xFract="0.24491351"
                           y3="8.41493"
                           yFract="0.99702962"
                           z3="6.04558"
                           zFract="0.27207831"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35643"
                           xFract="0.99009834"
                           y3="0.17286"
                           yFract="0.02048104"
                           z3="4.18234"
                           zFract="0.18822412"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00439"
                           xFract="0.00052014"
                           y3="0.08876"
                           yFract="0.01051659"
                           z3="8.41355"
                           zFract="0.37864761"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13779"
                           xFract="0.25329265"
                           y3="1.91616"
                           yFract="0.22703318"
                           z3="4.15989"
                           zFract="0.18721377"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10707"
                           xFract="0.24965284"
                           y3="2.11502"
                           yFract="0.25059479"
                           z3="8.49867"
                           zFract="0.3824784"/>
                     <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="4.22172"
                           xFract="0.50020379"
                           y3="2.10977"
                           yFract="0.24997275"
                           z3="6.36088"
                           zFract="0.28626823"/>
                     <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="6.36038"
                           xFract="0.75359953"
                           y3="0.04156"
                           yFract="0.00492417"
                           z3="6.33957"
                           zFract="0.28530918"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30657"
                           xFract="0.51025711"
                           y3="0.00406"
                           yFract="0.00048104"
                           z3="4.23205"
                           zFract="0.1904613"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2512"
                           xFract="0.50369668"
                           y3="0.04344"
                           yFract="0.00514692"
                           z3="8.50005"
                           zFract="0.3825405"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28498"
                           xFract="0.74466588"
                           y3="1.99983"
                           yFract="0.23694668"
                           z3="4.15178"
                           zFract="0.18684878"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33768"
                           xFract="0.75090995"
                           y3="2.10285"
                           yFract="0.24915284"
                           z3="8.66906"
                           zFract="0.39014671"/>
                     <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="0.12187"
                           xFract="0.01443957"
                           y3="6.36636"
                           yFract="0.75430806"
                           z3="6.17229"
                           zFract="0.27778083"/>
                     <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="2.10148"
                           xFract="0.24899052"
                           y3="4.25208"
                           yFract="0.50380095"
                           z3="6.26598"
                           zFract="0.2819973"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0070"
                           xFract="0.00082938"
                           y3="4.00356"
                           yFract="0.47435545"
                           z3="4.23436"
                           zFract="0.19056526"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00943"
                           xFract="0.0011173"
                           y3="4.10742"
                           yFract="0.48666114"
                           z3="8.5091"
                           zFract="0.38294779"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04812"
                           xFract="0.24266825"
                           y3="6.50871"
                           yFract="0.77117417"
                           z3="4.16373"
                           zFract="0.18738659"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07725"
                           xFract="0.24611967"
                           y3="6.35316"
                           yFract="0.75274408"
                           z3="8.39909"
                           zFract="0.37799685"/>
                     <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="4.08241"
                           xFract="0.48369787"
                           y3="6.32917"
                           yFract="0.74990166"
                           z3="6.25668"
                           zFract="0.28157876"/>
                     <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="6.33289"
                           xFract="0.75034242"
                           y3="4.18322"
                           yFract="0.49564218"
                           z3="6.37536"
                           zFract="0.28691989"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21689"
                           xFract="0.49963152"
                           y3="4.17705"
                           yFract="0.49491114"
                           z3="4.18367"
                           zFract="0.18828398"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22338"
                           xFract="0.50040047"
                           y3="4.16827"
                           yFract="0.49387085"
                           z3="8.54913"
                           zFract="0.38474932"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.4101"
                           xFract="0.75949052"
                           y3="6.44244"
                           yFract="0.76332227"
                           z3="4.27923"
                           zFract="0.19258461"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37758"
                           xFract="0.75563744"
                           y3="6.33392"
                           yFract="0.75046445"
                           z3="8.56421"
                           zFract="0.38542799"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34637"
                           xFract="0.75193957"
                           y3="2.09945"
                           yFract="0.24875"
                           z3="9.6414"
                           zFract="0.43390639"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10867"
                           xFract="0.24984242"
                           y3="8.4306"
                           yFract="0.99888626"
                           z3="4.14075"
                           zFract="0.18635239"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00392"
                           xFract="0.00046445"
                           y3="2.0916"
                           yFract="0.24781991"
                           z3="4.18755"
                           zFract="0.1884586"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.11224"
                           xFract="0.48723223"
                           y3="2.09154"
                           yFract="0.2478128"
                           z3="8.4082"
                           zFract="0.37840684"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34203"
                           xFract="0.75142536"
                           y3="0.00058"
                           yFract="0.00006872"
                           z3="4.21595"
                           zFract="0.18973672"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02025"
                           xFract="0.00239929"
                           y3="8.42745"
                           yFract="0.99851303"
                           z3="6.31833"
                           zFract="0.28435329"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.08959"
                           xFract="0.01061493"
                           y3="2.08122"
                           yFract="0.24659005"
                           z3="8.44368"
                           zFract="0.3800036"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09165"
                           xFract="0.24782583"
                           y3="6.35538"
                           yFract="0.75300711"
                           z3="6.32098"
                           zFract="0.28447255"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21341"
                           xFract="0.49921919"
                           y3="2.08686"
                           yFract="0.24725829"
                           z3="4.19749"
                           zFract="0.18890594"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34853"
                           xFract="0.7521955"
                           y3="8.32323"
                           yFract="0.98616469"
                           z3="8.34654"
                           zFract="0.37563186"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3376"
                           xFract="0.75090047"
                           y3="4.34553"
                           yFract="0.51487322"
                           z3="8.39363"
                           zFract="0.37775113"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09365"
                           xFract="0.2480628"
                           y3="4.1931"
                           yFract="0.4968128"
                           z3="4.19223"
                           zFract="0.18866922"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09243"
                           xFract="0.24791825"
                           y3="8.3991"
                           yFract="0.99515403"
                           z3="8.61498"
                           zFract="0.38771287"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35451"
                           xFract="0.75290403"
                           y3="6.34106"
                           yFract="0.75131043"
                           z3="6.35094"
                           zFract="0.28582088"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.20991"
                           xFract="0.4988045"
                           y3="6.34854"
                           yFract="0.75219668"
                           z3="8.63577"
                           zFract="0.38864851"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35457"
                           xFract="0.75291114"
                           y3="4.22698"
                           yFract="0.50082701"
                           z3="4.19809"
                           zFract="0.18893294"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02928"
                           xFract="0.00346919"
                           y3="6.3632"
                           yFract="0.75393365"
                           z3="8.57181"
                           zFract="0.38577003"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00553"
                           xFract="0.00065521"
                           y3="6.31074"
                           yFract="0.74771801"
                           z3="4.16734"
                           zFract="0.18754905"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18155"
                           xFract="0.49544431"
                           y3="8.39194"
                           yFract="0.99430569"
                           z3="6.3934"
                           zFract="0.28773177"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21087"
                           xFract="0.49891825"
                           y3="4.26107"
                           yFract="0.50486611"
                           z3="6.37363"
                           zFract="0.28684203"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08303"
                           xFract="0.2468045"
                           y3="2.08693"
                           yFract="0.24726659"
                           z3="6.34603"
                           zFract="0.28559991"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00647"
                           xFract="0.00076659"
                           y3="4.26358"
                           yFract="0.50516351"
                           z3="6.37685"
                           zFract="0.28698695"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34483"
                           xFract="0.75175711"
                           y3="2.11922"
                           yFract="0.25109242"
                           z3="6.21192"
                           zFract="0.27956436"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.25818"
                           xFract="0.5045237"
                           y3="6.30996"
                           yFract="0.74762559"
                           z3="4.22552"
                           zFract="0.19016742"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1135"
                           xFract="0.25041469"
                           y3="4.27997"
                           yFract="0.50710545"
                           z3="8.49239"
                           zFract="0.38219577"/>
                     <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="0.0013"
                           xFract="0.00015403"
                           y3="2.0759"
                           yFract="0.24595972"
                           z3="6.24573"
                           zFract="0.28108596"/>
                     <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="2.06705"
                           xFract="0.24491114"
                           y3="8.4157"
                           yFract="0.99712085"
                           z3="6.04646"
                           zFract="0.27211791"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35599"
                           xFract="0.99004621"
                           y3="0.17307"
                           yFract="0.02050592"
                           z3="4.18262"
                           zFract="0.18823672"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.00626"
                           xFract="0.00074171"
                           y3="0.08802"
                           yFract="0.01042891"
                           z3="8.41369"
                           zFract="0.37865392"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13818"
                           xFract="0.25333886"
                           y3="1.91649"
                           yFract="0.22707227"
                           z3="4.15947"
                           zFract="0.18719487"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10721"
                           xFract="0.24966943"
                           y3="2.11629"
                           yFract="0.25074526"
                           z3="8.49942"
                           zFract="0.38251215"/>
                     <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="4.22343"
                           xFract="0.5004064"
                           y3="2.1094"
                           yFract="0.24992891"
                           z3="6.35943"
                           zFract="0.28620297"/>
                     <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="6.36029"
                           xFract="0.75358886"
                           y3="0.04959"
                           yFract="0.00587559"
                           z3="6.3383"
                           zFract="0.28525203"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30741"
                           xFract="0.51035664"
                           y3="0.0042"
                           yFract="0.00049763"
                           z3="4.23236"
                           zFract="0.19047525"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24967"
                           xFract="0.5035154"
                           y3="0.04268"
                           yFract="0.00505687"
                           z3="8.49949"
                           zFract="0.3825153"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28512"
                           xFract="0.74468246"
                           y3="1.9997"
                           yFract="0.23693128"
                           z3="4.14758"
                           zFract="0.18665977"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33843"
                           xFract="0.75099882"
                           y3="2.10246"
                           yFract="0.24910664"
                           z3="8.68267"
                           zFract="0.39075923"/>
                     <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="0.11818"
                           xFract="0.01400237"
                           y3="6.36637"
                           yFract="0.75430924"
                           z3="6.17153"
                           zFract="0.27774662"/>
                     <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="2.10182"
                           xFract="0.24903081"
                           y3="4.24954"
                           yFract="0.5035"
                           z3="6.26514"
                           zFract="0.2819595"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00692"
                           xFract="0.00081991"
                           y3="4.00371"
                           yFract="0.47437322"
                           z3="4.23459"
                           zFract="0.19057561"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00965"
                           xFract="0.00114336"
                           y3="4.10771"
                           yFract="0.4866955"
                           z3="8.50781"
                           zFract="0.38288974"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04828"
                           xFract="0.2426872"
                           y3="6.50897"
                           yFract="0.77120498"
                           z3="4.16449"
                           zFract="0.18742079"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07747"
                           xFract="0.24614573"
                           y3="6.3527"
                           yFract="0.75268957"
                           z3="8.39935"
                           zFract="0.37800855"/>
                     <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="4.0865"
                           xFract="0.48418246"
                           y3="6.32881"
                           yFract="0.749859"
                           z3="6.25628"
                           zFract="0.28156076"/>
                     <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="6.33275"
                           xFract="0.75032583"
                           y3="4.17597"
                           yFract="0.49478318"
                           z3="6.3752"
                           zFract="0.28691269"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21721"
                           xFract="0.49966943"
                           y3="4.17679"
                           yFract="0.49488033"
                           z3="4.18365"
                           zFract="0.18828308"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22256"
                           xFract="0.50030332"
                           y3="4.16886"
                           yFract="0.49394076"
                           z3="8.54839"
                           zFract="0.38471602"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.40995"
                           xFract="0.75947275"
                           y3="6.44017"
                           yFract="0.76305332"
                           z3="4.28013"
                           zFract="0.19262511"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37874"
                           xFract="0.75577488"
                           y3="6.33458"
                           yFract="0.75054265"
                           z3="8.56295"
                           zFract="0.38537129"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a75" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34628"
                           xFract="0.75192891"
                           y3="2.0995"
                           yFract="0.24875592"
                           z3="9.68718"
                           zFract="0.4359667"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10828"
                           xFract="0.24979621"
                           y3="8.42799"
                           yFract="0.99857701"
                           z3="4.1430"
                           zFract="0.18645365"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00113"
                           xFract="0.00013389"
                           y3="2.0885"
                           yFract="0.24745261"
                           z3="4.18757"
                           zFract="0.1884595"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.11465"
                           xFract="0.48751777"
                           y3="2.09411"
                           yFract="0.2481173"
                           z3="8.40627"
                           zFract="0.37831998"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34114"
                           xFract="0.75131991"
                           y3="0.0075"
                           yFract="0.00088863"
                           z3="4.2126"
                           zFract="0.18958596"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02191"
                           xFract="0.00259597"
                           y3="8.42595"
                           yFract="0.99833531"
                           z3="6.32064"
                           zFract="0.28445725"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.08553"
                           xFract="0.01013389"
                           y3="2.08257"
                           yFract="0.24675"
                           z3="8.43754"
                           zFract="0.37972727"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09357"
                           xFract="0.24805332"
                           y3="6.35467"
                           yFract="0.75292299"
                           z3="6.31935"
                           zFract="0.28439919"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2134"
                           xFract="0.49921801"
                           y3="2.08686"
                           yFract="0.24725829"
                           z3="4.19499"
                           zFract="0.18879343"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34927"
                           xFract="0.75228318"
                           y3="8.32665"
                           yFract="0.98656991"
                           z3="8.35301"
                           zFract="0.37592304"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33644"
                           xFract="0.75076303"
                           y3="4.34022"
                           yFract="0.51424408"
                           z3="8.39925"
                           zFract="0.37800405"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09377"
                           xFract="0.24807701"
                           y3="4.19684"
                           yFract="0.49725592"
                           z3="4.19608"
                           zFract="0.18884248"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09168"
                           xFract="0.24782938"
                           y3="8.39815"
                           yFract="0.99504147"
                           z3="8.61871"
                           zFract="0.38788074"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35533"
                           xFract="0.75300118"
                           y3="6.33999"
                           yFract="0.75118365"
                           z3="6.34442"
                           zFract="0.28552745"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.20897"
                           xFract="0.49869313"
                           y3="6.34883"
                           yFract="0.75223104"
                           z3="8.63812"
                           zFract="0.38875428"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35501"
                           xFract="0.75296327"
                           y3="4.22946"
                           yFract="0.50112085"
                           z3="4.19762"
                           zFract="0.18891179"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02698"
                           xFract="0.00319668"
                           y3="6.36394"
                           yFract="0.75402133"
                           z3="8.57522"
                           zFract="0.38592349"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00827"
                           xFract="0.00097986"
                           y3="6.31104"
                           yFract="0.74775355"
                           z3="4.16657"
                           zFract="0.1875144"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1815"
                           xFract="0.49543839"
                           y3="8.38926"
                           yFract="0.99398815"
                           z3="6.39532"
                           zFract="0.28781818"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20968"
                           xFract="0.49877725"
                           y3="4.26289"
                           yFract="0.50508175"
                           z3="6.37617"
                           zFract="0.28695635"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.0833"
                           xFract="0.24683649"
                           y3="2.09038"
                           yFract="0.24767536"
                           z3="6.34521"
                           zFract="0.28556301"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00852"
                           xFract="0.00100948"
                           y3="4.26461"
                           yFract="0.50528555"
                           z3="6.38108"
                           zFract="0.28717732"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34647"
                           xFract="0.75195142"
                           y3="2.11806"
                           yFract="0.25095498"
                           z3="6.19064"
                           zFract="0.27860666"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2539"
                           xFract="0.50401659"
                           y3="6.31082"
                           yFract="0.74772749"
                           z3="4.22678"
                           zFract="0.19022412"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11399"
                           xFract="0.25047275"
                           y3="4.27778"
                           yFract="0.50684597"
                           z3="8.49312"
                           zFract="0.38222862"/>
                     <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="-0.00361"
                           xFract="-0.00042773"
                           y3="2.07391"
                           yFract="0.24572393"
                           z3="6.25173"
                           zFract="0.28135599"/>
                     <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="2.06698"
                           xFract="0.24490284"
                           y3="8.41801"
                           yFract="0.99739455"
                           z3="6.04909"
                           zFract="0.27223627"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35469"
                           xFract="0.98989218"
                           y3="0.1737"
                           yFract="0.02058057"
                           z3="4.18347"
                           zFract="0.18827498"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.01185"
                           xFract="0.00140403"
                           y3="0.08579"
                           yFract="0.01016469"
                           z3="8.4141"
                           zFract="0.37867237"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13935"
                           xFract="0.25347749"
                           y3="1.9175"
                           yFract="0.22719194"
                           z3="4.15823"
                           zFract="0.18713906"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10762"
                           xFract="0.24971801"
                           y3="2.1201"
                           yFract="0.25119668"
                           z3="8.50169"
                           zFract="0.38261431"/>
                     <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="4.22856"
                           xFract="0.50101422"
                           y3="2.10829"
                           yFract="0.24979739"
                           z3="6.35508"
                           zFract="0.2860072"/>
                     <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="6.36001"
                           xFract="0.75355569"
                           y3="0.07368"
                           yFract="0.00872986"
                           z3="6.33449"
                           zFract="0.28508056"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30993"
                           xFract="0.51065521"
                           y3="0.00461"
                           yFract="0.00054621"
                           z3="4.23329"
                           zFract="0.1905171"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.24509"
                           xFract="0.50297275"
                           y3="0.0404"
                           yFract="0.00478673"
                           z3="8.49779"
                           zFract="0.38243879"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28555"
                           xFract="0.74473341"
                           y3="1.99931"
                           yFract="0.23688507"
                           z3="4.13499"
                           zFract="0.18609316"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34067"
                           xFract="0.75126422"
                           y3="2.10128"
                           yFract="0.24896682"
                           z3="8.72349"
                           zFract="0.39259631"/>
                     <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="0.10713"
                           xFract="0.01269313"
                           y3="6.3664"
                           yFract="0.7543128"
                           z3="6.16925"
                           zFract="0.27764401"/>
                     <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="2.10286"
                           xFract="0.24915403"
                           y3="4.2419"
                           yFract="0.50259479"
                           z3="6.26262"
                           zFract="0.28184608"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00666"
                           xFract="0.0007891"
                           y3="4.00416"
                           yFract="0.47442654"
                           z3="4.23525"
                           zFract="0.19060531"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01032"
                           xFract="0.00122275"
                           y3="4.10858"
                           yFract="0.48679858"
                           z3="8.50391"
                           zFract="0.38271422"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04875"
                           xFract="0.24274289"
                           y3="6.50973"
                           yFract="0.77129502"
                           z3="4.16677"
                           zFract="0.1875234"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07811"
                           xFract="0.24622156"
                           y3="6.35134"
                           yFract="0.75252844"
                           z3="8.40012"
                           zFract="0.3780432"/>
                     <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="4.09878"
                           xFract="0.48563744"
                           y3="6.32772"
                           yFract="0.74972986"
                           z3="6.25509"
                           zFract="0.2815072"/>
                     <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="6.33232"
                           xFract="0.75027488"
                           y3="4.15422"
                           yFract="0.49220616"
                           z3="6.37473"
                           zFract="0.28689154"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21814"
                           xFract="0.49977962"
                           y3="4.17604"
                           yFract="0.49479147"
                           z3="4.18361"
                           zFract="0.18828128"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2201"
                           xFract="0.50001185"
                           y3="4.17063"
                           yFract="0.49415047"
                           z3="8.54615"
                           zFract="0.38461521"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.40949"
                           xFract="0.75941825"
                           y3="6.43335"
                           yFract="0.76224526"
                           z3="4.28283"
                           zFract="0.19274662"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38221"
                           xFract="0.75618602"
                           y3="6.33656"
                           yFract="0.75077725"
                           z3="8.55917"
                           zFract="0.38520117"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a25" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a75" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34611"
                           xFract="0.75190877"
                           y3="2.09961"
                           yFract="0.24876896"
                           z3="9.77876"
                           zFract="0.44008821"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1075"
                           xFract="0.24970379"
                           y3="8.42276"
                           yFract="0.99795735"
                           z3="4.1475"
                           zFract="0.18665617"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00446"
                           xFract="-0.00052844"
                           y3="2.08229"
                           yFract="0.24671682"
                           z3="4.18761"
                           zFract="0.1884613"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.11947"
                           xFract="0.48808886"
                           y3="2.09924"
                           yFract="0.24872512"
                           z3="8.4024"
                           zFract="0.37814581"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33935"
                           xFract="0.75110782"
                           y3="0.02136"
                           yFract="0.00253081"
                           z3="4.20589"
                           zFract="0.18928398"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02523"
                           xFract="0.00298934"
                           y3="8.42293"
                           yFract="0.99797749"
                           z3="6.32526"
                           zFract="0.28466517"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07742"
                           xFract="0.00917299"
                           y3="2.08525"
                           yFract="0.24706754"
                           z3="8.42527"
                           zFract="0.37917507"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.0974"
                           xFract="0.24850711"
                           y3="6.35324"
                           yFract="0.75275355"
                           z3="6.31608"
                           zFract="0.28425203"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21339"
                           xFract="0.49921682"
                           y3="2.08685"
                           yFract="0.24725711"
                           z3="4.18999"
                           zFract="0.18856841"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.35076"
                           xFract="0.75245972"
                           y3="8.33351"
                           yFract="0.9873827"
                           z3="8.36596"
                           zFract="0.37650585"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33411"
                           xFract="0.75048697"
                           y3="4.32959"
                           yFract="0.5129846"
                           z3="8.41047"
                           zFract="0.378509"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09401"
                           xFract="0.24810545"
                           y3="4.20434"
                           yFract="0.49814455"
                           z3="4.20378"
                           zFract="0.18918902"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0902"
                           xFract="0.24765403"
                           y3="8.39625"
                           yFract="0.99481635"
                           z3="8.62618"
                           zFract="0.38821692"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35697"
                           xFract="0.7531955"
                           y3="6.33786"
                           yFract="0.75093128"
                           z3="6.33138"
                           zFract="0.28494059"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.20709"
                           xFract="0.49847038"
                           y3="6.3494"
                           yFract="0.75229858"
                           z3="8.64281"
                           zFract="0.38896535"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.3559"
                           xFract="0.75306872"
                           y3="4.23441"
                           yFract="0.50170735"
                           z3="4.19669"
                           zFract="0.18886994"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0224"
                           xFract="0.00265403"
                           y3="6.36543"
                           yFract="0.75419787"
                           z3="8.58204"
                           zFract="0.38623042"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01375"
                           xFract="0.00162915"
                           y3="6.31163"
                           yFract="0.74782346"
                           z3="4.16504"
                           zFract="0.18744554"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18142"
                           xFract="0.49542891"
                           y3="8.38389"
                           yFract="0.9933519"
                           z3="6.39915"
                           zFract="0.28799055"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20731"
                           xFract="0.49849645"
                           y3="4.26652"
                           yFract="0.50551185"
                           z3="6.38124"
                           zFract="0.28718452"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08384"
                           xFract="0.24690047"
                           y3="2.09729"
                           yFract="0.24849408"
                           z3="6.34356"
                           zFract="0.28548875"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01261"
                           xFract="0.00149408"
                           y3="4.26666"
                           yFract="0.50552844"
                           z3="6.38954"
                           zFract="0.28755806"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34975"
                           xFract="0.75234005"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="6.14807"
                           zFract="0.27669082"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24536"
                           xFract="0.50300474"
                           y3="6.31254"
                           yFract="0.74793128"
                           z3="4.22929"
                           zFract="0.19033708"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11496"
                           xFract="0.25058768"
                           y3="4.27341"
                           yFract="0.5063282"
                           z3="8.49459"
                           zFract="0.38229478"/>
                     <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="2.06994"
                           yFract="0.24525355"
                           z3="6.26375"
                           zFract="0.28189694"/>
                     <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="2.06684"
                           xFract="0.24488626"
                           y3="8.42265"
                           yFract="0.99794431"
                           z3="6.05437"
                           zFract="0.2724739"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35208"
                           xFract="0.98958294"
                           y3="0.17496"
                           yFract="0.02072986"
                           z3="4.18516"
                           zFract="0.18835104"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02305"
                           xFract="0.00273104"
                           y3="0.08133"
                           yFract="0.00963626"
                           z3="8.41491"
                           zFract="0.37870882"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14168"
                           xFract="0.25375355"
                           y3="1.91951"
                           yFract="0.22743009"
                           z3="4.15574"
                           zFract="0.187027"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10844"
                           xFract="0.24981517"
                           y3="2.12772"
                           yFract="0.25209953"
                           z3="8.50623"
                           zFract="0.38281863"/>
                     <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="4.23882"
                           xFract="0.50222986"
                           y3="2.10606"
                           yFract="0.24953318"
                           z3="6.34638"
                           zFract="0.28561566"/>
                     <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="6.35944"
                           xFract="0.75348815"
                           y3="0.12187"
                           yFract="0.01443957"
                           z3="6.32688"
                           zFract="0.28473807"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31498"
                           xFract="0.51125355"
                           y3="0.00544"
                           yFract="0.00064455"
                           z3="4.23515"
                           zFract="0.19060081"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23592"
                           xFract="0.50188626"
                           y3="0.03584"
                           yFract="0.00424645"
                           z3="8.4944"
                           zFract="0.38228623"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28641"
                           xFract="0.74483531"
                           y3="1.99852"
                           yFract="0.23679147"
                           z3="4.10981"
                           zFract="0.18495995"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34516"
                           xFract="0.75179621"
                           y3="2.09891"
                           yFract="0.24868602"
                           z3="8.80513"
                           zFract="0.39627048"/>
                     <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="0.08503"
                           xFract="0.01007464"
                           y3="6.36644"
                           yFract="0.75431754"
                           z3="6.1647"
                           zFract="0.27743924"/>
                     <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="2.10494"
                           xFract="0.24940047"
                           y3="4.22662"
                           yFract="0.50078436"
                           z3="6.25759"
                           zFract="0.28161971"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00614"
                           xFract="0.00072749"
                           y3="4.00505"
                           yFract="0.47453199"
                           z3="4.23658"
                           zFract="0.19066517"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01165"
                           xFract="0.00138033"
                           y3="4.11034"
                           yFract="0.48700711"
                           z3="8.49613"
                           zFract="0.38236409"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0497"
                           xFract="0.24285545"
                           y3="6.51126"
                           yFract="0.7714763"
                           z3="4.17134"
                           zFract="0.18772907"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07938"
                           xFract="0.24637204"
                           y3="6.34861"
                           yFract="0.75220498"
                           z3="8.40166"
                           zFract="0.37811251"/>
                     <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="4.12334"
                           xFract="0.48854739"
                           y3="6.32555"
                           yFract="0.74947275"
                           z3="6.25271"
                           zFract="0.28140009"/>
                     <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="6.33145"
                           xFract="0.7501718"
                           y3="4.11072"
                           yFract="0.48705213"
                           z3="6.37379"
                           zFract="0.28684923"/>
                     <atom elementType="O"
                           id="a76"
                           x3="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="4.17453"
                           yFract="0.49461256"
                           z3="4.18352"
                           zFract="0.18827723"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21518"
                           xFract="0.49942891"
                           y3="4.17416"
                           yFract="0.49456872"
                           z3="8.54168"
                           zFract="0.38441404"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.40858"
                           xFract="0.75931043"
                           y3="6.41971"
                           yFract="0.76062915"
                           z3="4.28823"
                           zFract="0.19298965"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38914"
                           xFract="0.75700711"
                           y3="6.34053"
                           yFract="0.75124763"
                           z3="8.55162"
                           zFract="0.38486139"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34568"
                           xFract="0.75185782"
                           y3="2.09937"
                           yFract="0.24874052"
                           z3="9.80779"
                           zFract="0.44139469"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10819"
                           xFract="0.24978555"
                           y3="8.42994"
                           yFract="0.99880806"
                           z3="4.14756"
                           zFract="0.18665887"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="-0.00256"
                           xFract="-0.00030332"
                           y3="2.08716"
                           yFract="0.24729384"
                           z3="4.18889"
                           zFract="0.1885189"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1217"
                           xFract="0.48835308"
                           y3="2.09931"
                           yFract="0.24873341"
                           z3="8.40337"
                           zFract="0.37818947"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33932"
                           xFract="0.75110427"
                           y3="0.01408"
                           yFract="0.00166825"
                           z3="4.20597"
                           zFract="0.18928758"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02473"
                           xFract="0.00293009"
                           y3="8.42291"
                           yFract="0.99797512"
                           z3="6.32541"
                           zFract="0.28467192"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07669"
                           xFract="0.00908649"
                           y3="2.08547"
                           yFract="0.2470936"
                           z3="8.42487"
                           zFract="0.37915707"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09656"
                           xFract="0.24840758"
                           y3="6.35343"
                           yFract="0.75277607"
                           z3="6.31896"
                           zFract="0.28438164"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21185"
                           xFract="0.49903436"
                           y3="2.08737"
                           yFract="0.24731872"
                           z3="4.19142"
                           zFract="0.18863276"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3506"
                           xFract="0.75244076"
                           y3="8.33871"
                           yFract="0.98799882"
                           z3="8.36701"
                           zFract="0.37655311"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33359"
                           xFract="0.75042536"
                           y3="4.32559"
                           yFract="0.51251066"
                           z3="8.4122"
                           zFract="0.37858686"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09419"
                           xFract="0.24812678"
                           y3="4.2045"
                           yFract="0.49816351"
                           z3="4.20313"
                           zFract="0.18915977"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09047"
                           xFract="0.24768602"
                           y3="8.39951"
                           yFract="0.99520261"
                           z3="8.62699"
                           zFract="0.38825338"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35771"
                           xFract="0.75328318"
                           y3="6.33766"
                           yFract="0.75090758"
                           z3="6.33277"
                           zFract="0.28500315"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.20866"
                           xFract="0.4986564"
                           y3="6.34917"
                           yFract="0.75227133"
                           z3="8.64321"
                           zFract="0.38898335"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35575"
                           xFract="0.75305095"
                           y3="4.23597"
                           yFract="0.50189218"
                           z3="4.19801"
                           zFract="0.18892934"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02122"
                           xFract="0.00251422"
                           y3="6.36471"
                           yFract="0.75411256"
                           z3="8.58278"
                           zFract="0.38626373"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01283"
                           xFract="0.00152014"
                           y3="6.3117"
                           yFract="0.74783175"
                           z3="4.16506"
                           zFract="0.18744644"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18232"
                           xFract="0.49553555"
                           y3="8.38451"
                           yFract="0.99342536"
                           z3="6.39938"
                           zFract="0.2880009"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.20926"
                           xFract="0.49872749"
                           y3="4.26528"
                           yFract="0.50536493"
                           z3="6.38165"
                           zFract="0.28720297"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08556"
                           xFract="0.24710427"
                           y3="2.09758"
                           yFract="0.24852844"
                           z3="6.3454"
                           zFract="0.28557156"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.01147"
                           xFract="0.001359"
                           y3="4.26757"
                           yFract="0.50563626"
                           z3="6.38974"
                           zFract="0.28756706"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34896"
                           xFract="0.75224645"
                           y3="2.11776"
                           yFract="0.25091943"
                           z3="6.14157"
                           zFract="0.27639829"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24469"
                           xFract="0.50292536"
                           y3="6.31255"
                           yFract="0.74793246"
                           z3="4.22812"
                           zFract="0.19028443"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11466"
                           xFract="0.25055213"
                           y3="4.26939"
                           yFract="0.5058519"
                           z3="8.49612"
                           zFract="0.38236364"/>
                     <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="-0.00851"
                           xFract="-0.00100829"
                           y3="2.06836"
                           yFract="0.24506635"
                           z3="6.26708"
                           zFract="0.2820468"/>
                     <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="2.06679"
                           xFract="0.24488033"
                           y3="8.42183"
                           yFract="0.99784716"
                           z3="6.0546"
                           zFract="0.27248425"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35114"
                           xFract="0.98947156"
                           y3="0.17356"
                           yFract="0.02056398"
                           z3="4.18516"
                           zFract="0.18835104"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02571"
                           xFract="0.00304621"
                           y3="0.08063"
                           yFract="0.00955332"
                           z3="8.4148"
                           zFract="0.37870387"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13996"
                           xFract="0.25354976"
                           y3="1.91671"
                           yFract="0.22709834"
                           z3="4.15352"
                           zFract="0.18692709"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10897"
                           xFract="0.24987796"
                           y3="2.1260"
                           yFract="0.25189573"
                           z3="8.50617"
                           zFract="0.38281593"/>
                     <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="4.23503"
                           xFract="0.50178081"
                           y3="2.10516"
                           yFract="0.24942654"
                           z3="6.34395"
                           zFract="0.2855063"/>
                     <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="6.36047"
                           xFract="0.75361019"
                           y3="0.12837"
                           yFract="0.01520972"
                           z3="6.33033"
                           zFract="0.28489334"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31548"
                           xFract="0.5113128"
                           y3="0.00576"
                           yFract="0.00068246"
                           z3="4.23408"
                           zFract="0.19055266"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23192"
                           xFract="0.50141232"
                           y3="0.03468"
                           yFract="0.004109"
                           z3="8.49449"
                           zFract="0.38229028"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28708"
                           xFract="0.74491469"
                           y3="2.00116"
                           yFract="0.23710427"
                           z3="4.10474"
                           zFract="0.18473177"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34623"
                           xFract="0.75192299"
                           y3="2.0977"
                           yFract="0.24854265"
                           z3="8.82793"
                           zFract="0.39729658"/>
                     <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="0.07866"
                           xFract="0.00931991"
                           y3="6.36591"
                           yFract="0.75425474"
                           z3="6.1632"
                           zFract="0.27737174"/>
                     <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="2.10508"
                           xFract="0.24941706"
                           y3="4.22565"
                           yFract="0.50066943"
                           z3="6.25612"
                           zFract="0.28155356"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00641"
                           xFract="0.00075948"
                           y3="4.00243"
                           yFract="0.47422156"
                           z3="4.2366"
                           zFract="0.19066607"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00989"
                           xFract="0.0011718"
                           y3="4.11275"
                           yFract="0.48729265"
                           z3="8.49485"
                           zFract="0.38230648"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05003"
                           xFract="0.24289455"
                           y3="6.50947"
                           yFract="0.77126422"
                           z3="4.17206"
                           zFract="0.18776148"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07861"
                           xFract="0.24628081"
                           y3="6.34894"
                           yFract="0.75224408"
                           z3="8.40203"
                           zFract="0.37812916"/>
                     <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="4.13308"
                           xFract="0.48970142"
                           y3="6.32483"
                           yFract="0.74938744"
                           z3="6.25215"
                           zFract="0.28137489"/>
                     <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="6.33182"
                           xFract="0.75021564"
                           y3="4.10222"
                           yFract="0.48604502"
                           z3="6.37847"
                           zFract="0.28705986"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21962"
                           xFract="0.49995498"
                           y3="4.17518"
                           yFract="0.49468957"
                           z3="4.1828"
                           zFract="0.18824482"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21657"
                           xFract="0.4995936"
                           y3="4.17695"
                           yFract="0.49489929"
                           z3="8.54086"
                           zFract="0.38437714"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.40919"
                           xFract="0.7593827"
                           y3="6.42194"
                           yFract="0.76089336"
                           z3="4.28886"
                           zFract="0.193018"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38964"
                           xFract="0.75706635"
                           y3="6.33954"
                           yFract="0.75113033"
                           z3="8.54496"
                           zFract="0.38456166"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a45" order="S"/>
                     <bond atomRefs2="a4 a70" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3447"
                           xFract="0.75174171"
                           y3="2.09882"
                           yFract="0.24867536"
                           z3="9.87554"
                           zFract="0.44444374"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10982"
                           xFract="0.24997867"
                           y3="0.0067"
                           yFract="0.00079384"
                           z3="4.14771"
                           zFract="0.18666562"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00185"
                           xFract="0.00021919"
                           y3="2.09854"
                           yFract="0.24864218"
                           z3="4.19187"
                           zFract="0.18865302"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.12692"
                           xFract="0.48897156"
                           y3="2.09947"
                           yFract="0.24875237"
                           z3="8.40563"
                           zFract="0.37829118"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33925"
                           xFract="0.75109597"
                           y3="-0.00289"
                           yFract="-0.00034242"
                           z3="4.20615"
                           zFract="0.18929568"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02357"
                           xFract="0.00279265"
                           y3="8.42285"
                           yFract="0.99796801"
                           z3="6.32577"
                           zFract="0.28468812"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07498"
                           xFract="0.00888389"
                           y3="2.08596"
                           yFract="0.24715166"
                           z3="8.42395"
                           zFract="0.37911566"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09459"
                           xFract="0.24817417"
                           y3="6.35385"
                           yFract="0.75282583"
                           z3="6.32567"
                           zFract="0.28468362"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20825"
                           xFract="0.49860782"
                           y3="2.08856"
                           yFract="0.24745972"
                           z3="4.19474"
                           zFract="0.18878218"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.35023"
                           xFract="0.75239692"
                           y3="8.35085"
                           yFract="0.9894372"
                           z3="8.36946"
                           zFract="0.37666337"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33238"
                           xFract="0.75028199"
                           y3="4.31625"
                           yFract="0.51140403"
                           z3="8.41622"
                           zFract="0.37876778"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09461"
                           xFract="0.24817654"
                           y3="4.20489"
                           yFract="0.49820972"
                           z3="4.2016"
                           zFract="0.18909091"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0911"
                           xFract="0.24776066"
                           y3="8.40714"
                           yFract="0.99610664"
                           z3="8.62888"
                           zFract="0.38833843"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35945"
                           xFract="0.75348934"
                           y3="6.33719"
                           yFract="0.7508519"
                           z3="6.33603"
                           zFract="0.28514986"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21232"
                           xFract="0.49909005"
                           y3="6.34865"
                           yFract="0.75220972"
                           z3="8.64413"
                           zFract="0.38902475"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35541"
                           xFract="0.75301066"
                           y3="4.23961"
                           yFract="0.50232346"
                           z3="4.2011"
                           zFract="0.18906841"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01846"
                           xFract="0.0021872"
                           y3="6.36301"
                           yFract="0.75391114"
                           z3="8.58449"
                           zFract="0.38634068"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01068"
                           xFract="0.0012654"
                           y3="6.31188"
                           yFract="0.74785308"
                           z3="4.16511"
                           zFract="0.18744869"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18443"
                           xFract="0.49578555"
                           y3="8.38595"
                           yFract="0.99359597"
                           z3="6.39994"
                           zFract="0.2880261"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21383"
                           xFract="0.49926896"
                           y3="4.26239"
                           yFract="0.50502251"
                           z3="6.38261"
                           zFract="0.28724617"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.08957"
                           xFract="0.24757938"
                           y3="2.09827"
                           yFract="0.24861019"
                           z3="6.34969"
                           zFract="0.28576463"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00882"
                           xFract="0.00104502"
                           y3="4.26969"
                           yFract="0.50588744"
                           z3="6.39018"
                           zFract="0.28758686"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34714"
                           xFract="0.75203081"
                           y3="2.12249"
                           yFract="0.25147986"
                           z3="6.1264"
                           zFract="0.27571557"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24313"
                           xFract="0.50274052"
                           y3="6.31259"
                           yFract="0.7479372"
                           z3="4.22537"
                           zFract="0.19016067"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11396"
                           xFract="0.25046919"
                           y3="4.26001"
                           yFract="0.50474052"
                           z3="8.49969"
                           zFract="0.3825243"/>
                     <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="0.00299"
                           xFract="0.00035427"
                           y3="2.06466"
                           yFract="0.24462796"
                           z3="6.27484"
                           zFract="0.28239604"/>
                     <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="2.06667"
                           xFract="0.24486611"
                           y3="8.41992"
                           yFract="0.99762085"
                           z3="6.05513"
                           zFract="0.2725081"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34895"
                           xFract="0.98921209"
                           y3="0.1703"
                           yFract="0.02017773"
                           z3="4.18516"
                           zFract="0.18835104"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03192"
                           xFract="0.00378199"
                           y3="0.0790"
                           yFract="0.00936019"
                           z3="8.41454"
                           zFract="0.37869217"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13595"
                           xFract="0.25307464"
                           y3="1.91017"
                           yFract="0.22632346"
                           z3="4.14834"
                           zFract="0.18669397"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11022"
                           xFract="0.25002607"
                           y3="2.12198"
                           yFract="0.25141943"
                           z3="8.50602"
                           zFract="0.38280918"/>
                     <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="4.22616"
                           xFract="0.50072986"
                           y3="2.10306"
                           yFract="0.24917773"
                           z3="6.33828"
                           zFract="0.28525113"/>
                     <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="6.36287"
                           xFract="0.75389455"
                           y3="0.14354"
                           yFract="0.01700711"
                           z3="6.33841"
                           zFract="0.28525698"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31667"
                           xFract="0.51145379"
                           y3="0.0065"
                           yFract="0.00077014"
                           z3="4.23159"
                           zFract="0.19044059"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.22259"
                           xFract="0.50030687"
                           y3="0.03199"
                           yFract="0.00379028"
                           z3="8.49472"
                           zFract="0.38230063"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28862"
                           xFract="0.74509716"
                           y3="2.00731"
                           yFract="0.23783294"
                           z3="4.0929"
                           zFract="0.18419892"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34872"
                           xFract="0.75221801"
                           y3="2.09488"
                           yFract="0.24820853"
                           z3="8.88116"
                           zFract="0.39969217"/>
                     <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="0.06378"
                           xFract="0.00755687"
                           y3="6.36467"
                           yFract="0.75410782"
                           z3="6.15972"
                           zFract="0.27721512"/>
                     <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="2.10541"
                           xFract="0.24945616"
                           y3="4.22337"
                           yFract="0.50039929"
                           z3="6.2527"
                           zFract="0.28139964"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00703"
                           xFract="0.00083294"
                           y3="3.99632"
                           yFract="0.47349763"
                           z3="4.23664"
                           zFract="0.19066787"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00578"
                           xFract="0.00068483"
                           y3="4.11838"
                           yFract="0.48795972"
                           z3="8.49187"
                           zFract="0.38217237"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0508"
                           xFract="0.24298578"
                           y3="6.50529"
                           yFract="0.77076896"
                           z3="4.17376"
                           zFract="0.18783798"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07679"
                           xFract="0.24606517"
                           y3="6.34969"
                           yFract="0.75233294"
                           z3="8.4029"
                           zFract="0.37816832"/>
                     <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="4.15582"
                           xFract="0.49239573"
                           y3="6.32316"
                           yFract="0.74918957"
                           z3="6.25083"
                           zFract="0.28131548"/>
                     <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="6.33268"
                           xFract="0.75031754"
                           y3="4.08236"
                           yFract="0.48369194"
                           z3="6.38938"
                           zFract="0.28755086"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21873"
                           xFract="0.49984953"
                           y3="4.1767"
                           yFract="0.49486967"
                           z3="4.18112"
                           zFract="0.18816922"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21981"
                           xFract="0.49997749"
                           y3="4.18347"
                           yFract="0.4956718"
                           z3="8.53896"
                           zFract="0.38429163"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41062"
                           xFract="0.75955213"
                           y3="6.42713"
                           yFract="0.76150829"
                           z3="4.29032"
                           zFract="0.19308371"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3908"
                           xFract="0.75720379"
                           y3="6.33725"
                           yFract="0.750859"
                           z3="8.52943"
                           zFract="0.38386274"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34435"
                           xFract="0.75170024"
                           y3="2.09838"
                           yFract="0.24862322"
                           z3="9.8889"
                           zFract="0.445045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.00741"
                           yFract="0.00087796"
                           z3="4.1474"
                           zFract="0.18665167"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00371"
                           xFract="0.00043957"
                           y3="2.09901"
                           yFract="0.24869787"
                           z3="4.19325"
                           zFract="0.18871512"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.12935"
                           xFract="0.48925948"
                           y3="2.09901"
                           yFract="0.24869787"
                           z3="8.40757"
                           zFract="0.37837849"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.33984"
                           xFract="0.75116588"
                           y3="-0.00765"
                           yFract="-0.0009064"
                           z3="4.20715"
                           zFract="0.18934068"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02294"
                           xFract="0.00271801"
                           y3="8.42344"
                           yFract="0.99803791"
                           z3="6.32512"
                           zFract="0.28465887"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07426"
                           xFract="0.00879858"
                           y3="2.08607"
                           yFract="0.24716469"
                           z3="8.42565"
                           zFract="0.37919217"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09428"
                           xFract="0.24813744"
                           y3="6.35419"
                           yFract="0.75286611"
                           z3="6.32861"
                           zFract="0.28481593"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20719"
                           xFract="0.49848223"
                           y3="2.08911"
                           yFract="0.24752488"
                           z3="4.19629"
                           zFract="0.18885194"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34999"
                           xFract="0.75236848"
                           y3="8.35568"
                           yFract="0.99000948"
                           z3="8.36974"
                           zFract="0.37667597"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33219"
                           xFract="0.75025948"
                           y3="4.3126"
                           yFract="0.51097156"
                           z3="8.41767"
                           zFract="0.37883303"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09489"
                           xFract="0.24820972"
                           y3="4.20464"
                           yFract="0.49818009"
                           z3="4.20017"
                           zFract="0.18902655"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09167"
                           xFract="0.2478282"
                           y3="8.41061"
                           yFract="0.99651777"
                           z3="8.62884"
                           zFract="0.38833663"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35989"
                           xFract="0.75354147"
                           y3="6.33732"
                           yFract="0.7508673"
                           z3="6.33903"
                           zFract="0.28528488"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21406"
                           xFract="0.49929621"
                           y3="6.34823"
                           yFract="0.75215995"
                           z3="8.64358"
                           zFract="0.3890"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.3550"
                           xFract="0.75296209"
                           y3="4.2410"
                           yFract="0.50248815"
                           z3="4.20274"
                           zFract="0.18914221"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01792"
                           xFract="0.00212322"
                           y3="6.36189"
                           yFract="0.75377844"
                           z3="8.58427"
                           zFract="0.38633078"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01004"
                           xFract="0.00118957"
                           y3="6.31216"
                           yFract="0.74788626"
                           z3="4.16508"
                           zFract="0.18744734"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18542"
                           xFract="0.49590284"
                           y3="8.38664"
                           yFract="0.99367773"
                           z3="6.39937"
                           zFract="0.28800045"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21592"
                           xFract="0.49951659"
                           y3="4.26119"
                           yFract="0.50488033"
                           z3="6.3823"
                           zFract="0.28723222"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.0914"
                           xFract="0.24779621"
                           y3="2.09761"
                           yFract="0.24853199"
                           z3="6.35214"
                           zFract="0.28587489"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00731"
                           xFract="0.00086611"
                           y3="4.27043"
                           yFract="0.50597512"
                           z3="6.38944"
                           zFract="0.28755356"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3468"
                           xFract="0.75199052"
                           y3="2.1233"
                           yFract="0.25157583"
                           z3="6.12372"
                           zFract="0.27559496"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24246"
                           xFract="0.50266114"
                           y3="6.3125"
                           yFract="0.74792654"
                           z3="4.22415"
                           zFract="0.19010576"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11353"
                           xFract="0.25041825"
                           y3="4.25668"
                           yFract="0.50434597"
                           z3="8.50093"
                           zFract="0.38258011"/>
                     <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="0.00989"
                           xFract="0.0011718"
                           y3="2.06365"
                           yFract="0.24450829"
                           z3="6.27735"
                           zFract="0.282509"/>
                     <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="2.06681"
                           xFract="0.2448827"
                           y3="8.41891"
                           yFract="0.99750118"
                           z3="6.05463"
                           zFract="0.2724856"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34848"
                           xFract="0.9891564"
                           y3="0.17069"
                           yFract="0.02022393"
                           z3="4.18514"
                           zFract="0.18835014"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03365"
                           xFract="0.00398697"
                           y3="0.07838"
                           yFract="0.00928673"
                           z3="8.4145"
                           zFract="0.37869037"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13384"
                           xFract="0.25282464"
                           y3="1.90982"
                           yFract="0.22628199"
                           z3="4.14586"
                           zFract="0.18658236"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11108"
                           xFract="0.25012796"
                           y3="2.11939"
                           yFract="0.25111256"
                           z3="8.50602"
                           zFract="0.38280918"/>
                     <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="4.22005"
                           xFract="0.50000592"
                           y3="2.10238"
                           yFract="0.24909716"
                           z3="6.33688"
                           zFract="0.28518812"/>
                     <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="6.36373"
                           xFract="0.75399645"
                           y3="0.14664"
                           yFract="0.01737441"
                           z3="6.34387"
                           zFract="0.2855027"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31656"
                           xFract="0.51144076"
                           y3="0.00669"
                           yFract="0.00079265"
                           z3="4.2303"
                           zFract="0.19038254"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21935"
                           xFract="0.49992299"
                           y3="0.03114"
                           yFract="0.00368957"
                           z3="8.49548"
                           zFract="0.38233483"/>
                     <atom elementType="O"
                           id="a59"
                           x3="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="2.00842"
                           yFract="0.23796445"
                           z3="4.09061"
                           zFract="0.18409586"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34904"
                           xFract="0.75225592"
                           y3="2.09364"
                           yFract="0.24806161"
                           z3="8.91158"
                           zFract="0.40106121"/>
                     <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="0.05839"
                           xFract="0.00691825"
                           y3="6.36396"
                           yFract="0.7540237"
                           z3="6.15875"
                           zFract="0.27717147"/>
                     <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="2.10541"
                           xFract="0.24945616"
                           y3="4.22463"
                           yFract="0.50054858"
                           z3="6.25188"
                           zFract="0.28136274"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00749"
                           xFract="0.00088744"
                           y3="3.9956"
                           yFract="0.47341232"
                           z3="4.23673"
                           zFract="0.19067192"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0043"
                           xFract="0.00050948"
                           y3="4.12088"
                           yFract="0.48825592"
                           z3="8.49176"
                           zFract="0.38216742"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05098"
                           xFract="0.24300711"
                           y3="6.50582"
                           yFract="0.77083175"
                           z3="4.17407"
                           zFract="0.18785194"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07561"
                           xFract="0.24592536"
                           y3="6.35008"
                           yFract="0.75237915"
                           z3="8.40356"
                           zFract="0.37819802"/>
                     <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="4.16461"
                           xFract="0.4934372"
                           y3="6.32273"
                           yFract="0.74913863"
                           z3="6.25061"
                           zFract="0.28130558"/>
                     <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="6.33322"
                           xFract="0.75038152"
                           y3="4.07763"
                           yFract="0.48313152"
                           z3="6.39525"
                           zFract="0.28781503"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21818"
                           xFract="0.49978436"
                           y3="4.17739"
                           yFract="0.49495142"
                           z3="4.18048"
                           zFract="0.18814041"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22149"
                           xFract="0.50017654"
                           y3="4.1860"
                           yFract="0.49597156"
                           z3="8.53882"
                           zFract="0.38428533"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41134"
                           xFract="0.75963744"
                           y3="6.42956"
                           yFract="0.76179621"
                           z3="4.29117"
                           zFract="0.19312196"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.39043"
                           xFract="0.75715995"
                           y3="6.33666"
                           yFract="0.7507891"
                           z3="8.5223"
                           zFract="0.38354185"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34421"
                           xFract="0.75168365"
                           y3="2.09821"
                           yFract="0.24860308"
                           z3="9.89396"
                           zFract="0.44527273"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11007"
                           xFract="0.25000829"
                           y3="0.00768"
                           yFract="0.00090995"
                           z3="4.14728"
                           zFract="0.18664626"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00442"
                           xFract="0.0005237"
                           y3="2.09918"
                           yFract="0.24871801"
                           z3="4.19377"
                           zFract="0.18873852"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.13026"
                           xFract="0.4893673"
                           y3="2.09884"
                           yFract="0.24867773"
                           z3="8.40831"
                           zFract="0.37841179"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34007"
                           xFract="0.75119313"
                           y3="-0.00945"
                           yFract="-0.00111967"
                           z3="4.20752"
                           zFract="0.18935734"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0227"
                           xFract="0.00268957"
                           y3="8.42366"
                           yFract="0.99806398"
                           z3="6.32488"
                           zFract="0.28464806"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07399"
                           xFract="0.00876659"
                           y3="2.08612"
                           yFract="0.24717062"
                           z3="8.42629"
                           zFract="0.37922097"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09416"
                           xFract="0.24812322"
                           y3="6.35431"
                           yFract="0.75288033"
                           z3="6.32973"
                           zFract="0.28486634"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20679"
                           xFract="0.49843483"
                           y3="2.08932"
                           yFract="0.24754976"
                           z3="4.19688"
                           zFract="0.18887849"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3499"
                           xFract="0.75235782"
                           y3="8.3575"
                           yFract="0.99022512"
                           z3="8.36985"
                           zFract="0.37668092"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33212"
                           xFract="0.75025118"
                           y3="4.31122"
                           yFract="0.51080806"
                           z3="8.41821"
                           zFract="0.37885734"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0950"
                           xFract="0.24822275"
                           y3="4.20454"
                           yFract="0.49816825"
                           z3="4.19962"
                           zFract="0.1890018"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09188"
                           xFract="0.24785308"
                           y3="8.41192"
                           yFract="0.99667299"
                           z3="8.62882"
                           zFract="0.38833573"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36006"
                           xFract="0.75356161"
                           y3="6.33736"
                           yFract="0.75087204"
                           z3="6.34016"
                           zFract="0.28533573"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21472"
                           xFract="0.49937441"
                           y3="6.34808"
                           yFract="0.75214218"
                           z3="8.64337"
                           zFract="0.38899055"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35485"
                           xFract="0.75294431"
                           y3="4.24153"
                           yFract="0.50255095"
                           z3="4.20336"
                           zFract="0.18917012"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01772"
                           xFract="0.00209953"
                           y3="6.36147"
                           yFract="0.75372867"
                           z3="8.58419"
                           zFract="0.38632718"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0098"
                           xFract="0.00116114"
                           y3="6.31226"
                           yFract="0.7478981"
                           z3="4.16507"
                           zFract="0.18744689"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18579"
                           xFract="0.49594668"
                           y3="8.3869"
                           yFract="0.99370853"
                           z3="6.39915"
                           zFract="0.28799055"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21671"
                           xFract="0.49961019"
                           y3="4.26073"
                           yFract="0.50482583"
                           z3="6.38219"
                           zFract="0.28722727"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.09209"
                           xFract="0.24787796"
                           y3="2.09737"
                           yFract="0.24850355"
                           z3="6.35306"
                           zFract="0.28591629"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00675"
                           xFract="0.00079976"
                           y3="4.27071"
                           yFract="0.50600829"
                           z3="6.38916"
                           zFract="0.28754095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34667"
                           xFract="0.75197512"
                           y3="2.12361"
                           yFract="0.25161256"
                           z3="6.1227"
                           zFract="0.27554905"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24221"
                           xFract="0.50263152"
                           y3="6.31247"
                           yFract="0.74792299"
                           z3="4.22368"
                           zFract="0.19008461"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11337"
                           xFract="0.25039929"
                           y3="4.25542"
                           yFract="0.50419668"
                           z3="8.5014"
                           zFract="0.38260126"/>
                     <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="0.0125"
                           xFract="0.00148104"
                           y3="2.06327"
                           yFract="0.24446327"
                           z3="6.27829"
                           zFract="0.28255131"/>
                     <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="2.06686"
                           xFract="0.24488863"
                           y3="8.41853"
                           yFract="0.99745616"
                           z3="6.05445"
                           zFract="0.2724775"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34831"
                           xFract="0.98913626"
                           y3="0.17084"
                           yFract="0.02024171"
                           z3="4.18514"
                           zFract="0.18835014"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03431"
                           xFract="0.00406517"
                           y3="0.07815"
                           yFract="0.00925948"
                           z3="8.41449"
                           zFract="0.37868992"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13305"
                           xFract="0.25273104"
                           y3="1.90969"
                           yFract="0.22626659"
                           z3="4.14492"
                           zFract="0.18654005"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11141"
                           xFract="0.25016706"
                           y3="2.11841"
                           yFract="0.25099645"
                           z3="8.50601"
                           zFract="0.38280873"/>
                     <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="4.21774"
                           xFract="0.49973223"
                           y3="2.10212"
                           yFract="0.24906635"
                           z3="6.33635"
                           zFract="0.28516427"/>
                     <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="6.36406"
                           xFract="0.75403555"
                           y3="0.14781"
                           yFract="0.01751303"
                           z3="6.34594"
                           zFract="0.28559586"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31652"
                           xFract="0.51143602"
                           y3="0.00676"
                           yFract="0.00080095"
                           z3="4.22982"
                           zFract="0.19036094"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21812"
                           xFract="0.49977725"
                           y3="0.03081"
                           yFract="0.00365047"
                           z3="8.49577"
                           zFract="0.38234788"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28951"
                           xFract="0.74520261"
                           y3="2.00884"
                           yFract="0.23801422"
                           z3="4.08975"
                           zFract="0.18405716"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34916"
                           xFract="0.75227014"
                           y3="2.09317"
                           yFract="0.24800592"
                           z3="8.92308"
                           zFract="0.40157876"/>
                     <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="0.05635"
                           xFract="0.00667654"
                           y3="6.36369"
                           yFract="0.75399171"
                           z3="6.15839"
                           zFract="0.27715527"/>
                     <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="2.1054"
                           xFract="0.24945498"
                           y3="4.2251"
                           yFract="0.50060427"
                           z3="6.25157"
                           zFract="0.28134878"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00767"
                           xFract="0.00090877"
                           y3="3.99532"
                           yFract="0.47337915"
                           z3="4.23676"
                           zFract="0.19067327"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00374"
                           xFract="0.00044313"
                           y3="4.12183"
                           yFract="0.48836848"
                           z3="8.49172"
                           zFract="0.38216562"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05105"
                           xFract="0.2430154"
                           y3="6.50602"
                           yFract="0.77085545"
                           z3="4.17419"
                           zFract="0.18785734"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07516"
                           xFract="0.24587204"
                           y3="6.35022"
                           yFract="0.75239573"
                           z3="8.40381"
                           zFract="0.37820927"/>
                     <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="4.16794"
                           xFract="0.49383175"
                           y3="6.32257"
                           yFract="0.74911967"
                           z3="6.25053"
                           zFract="0.28130198"/>
                     <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="6.33343"
                           xFract="0.7504064"
                           y3="4.07584"
                           yFract="0.48291943"
                           z3="6.39747"
                           zFract="0.28791494"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21798"
                           xFract="0.49976066"
                           y3="4.17765"
                           yFract="0.49498223"
                           z3="4.18024"
                           zFract="0.18812961"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22212"
                           xFract="0.50025118"
                           y3="4.18696"
                           yFract="0.49608531"
                           z3="8.53877"
                           zFract="0.38428308"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41162"
                           xFract="0.75967062"
                           y3="6.43048"
                           yFract="0.76190521"
                           z3="4.29149"
                           zFract="0.19313636"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3903"
                           xFract="0.75714455"
                           y3="6.33644"
                           yFract="0.75076303"
                           z3="8.51961"
                           zFract="0.38342079"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34401"
                           xFract="0.75165995"
                           y3="2.09781"
                           yFract="0.24855569"
                           z3="9.90436"
                           zFract="0.44574077"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10966"
                           xFract="0.24995972"
                           y3="0.00205"
                           yFract="0.00024289"
                           z3="4.14679"
                           zFract="0.18662421"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00514"
                           xFract="0.000609"
                           y3="2.09536"
                           yFract="0.2482654"
                           z3="4.1945"
                           zFract="0.18877138"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.13191"
                           xFract="0.4895628"
                           y3="2.09827"
                           yFract="0.24861019"
                           z3="8.41051"
                           zFract="0.3785108"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34074"
                           xFract="0.75127251"
                           y3="-0.00834"
                           yFract="-0.00098815"
                           z3="4.20863"
                           zFract="0.18940729"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02257"
                           xFract="0.00267417"
                           y3="8.42445"
                           yFract="0.99815758"
                           z3="6.32397"
                           zFract="0.28460711"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07324"
                           xFract="0.00867773"
                           y3="2.08618"
                           yFract="0.24717773"
                           z3="8.42927"
                           zFract="0.37935509"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09469"
                           xFract="0.24818602"
                           y3="6.35453"
                           yFract="0.7529064"
                           z3="6.33117"
                           zFract="0.28493114"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2067"
                           xFract="0.49842417"
                           y3="2.08958"
                           yFract="0.24758057"
                           z3="4.19749"
                           zFract="0.18890594"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34975"
                           xFract="0.75234005"
                           y3="8.35966"
                           yFract="0.99048104"
                           z3="8.37014"
                           zFract="0.37669397"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33237"
                           xFract="0.75028081"
                           y3="4.30949"
                           yFract="0.51060308"
                           z3="8.41946"
                           zFract="0.37891359"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09518"
                           xFract="0.24824408"
                           y3="4.20415"
                           yFract="0.49812204"
                           z3="4.19847"
                           zFract="0.18895005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09241"
                           xFract="0.24791588"
                           y3="8.41365"
                           yFract="0.99687796"
                           z3="8.62807"
                           zFract="0.38830198"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35998"
                           xFract="0.75355213"
                           y3="6.33774"
                           yFract="0.75091706"
                           z3="6.34285"
                           zFract="0.2854568"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21566"
                           xFract="0.49948578"
                           y3="6.34766"
                           yFract="0.75209242"
                           z3="8.64211"
                           zFract="0.38893384"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35447"
                           xFract="0.75289929"
                           y3="4.2422"
                           yFract="0.50263033"
                           z3="4.2045"
                           zFract="0.18922142"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01794"
                           xFract="0.00212559"
                           y3="6.36055"
                           yFract="0.75361967"
                           z3="8.58315"
                           zFract="0.38628038"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00996"
                           xFract="0.00118009"
                           y3="6.31258"
                           yFract="0.74793602"
                           z3="4.1650"
                           zFract="0.18744374"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1863"
                           xFract="0.49600711"
                           y3="8.38703"
                           yFract="0.99372393"
                           z3="6.39807"
                           zFract="0.28794194"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21768"
                           xFract="0.49972512"
                           y3="4.26041"
                           yFract="0.50478791"
                           z3="6.38145"
                           zFract="0.28719397"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.0931"
                           xFract="0.24799763"
                           y3="2.09631"
                           yFract="0.24837796"
                           z3="6.3548"
                           zFract="0.2859946"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00588"
                           xFract="0.00069668"
                           y3="4.27089"
                           yFract="0.50602962"
                           z3="6.38799"
                           zFract="0.2874883"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34725"
                           xFract="0.75204384"
                           y3="2.12254"
                           yFract="0.25148578"
                           z3="6.12442"
                           zFract="0.27562646"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24174"
                           xFract="0.50257583"
                           y3="6.31237"
                           yFract="0.74791114"
                           z3="4.22322"
                           zFract="0.19006391"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11311"
                           xFract="0.25036848"
                           y3="4.25443"
                           yFract="0.50407938"
                           z3="8.50162"
                           zFract="0.38261116"/>
                     <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="0.01749"
                           xFract="0.00207227"
                           y3="2.06326"
                           yFract="0.24446209"
                           z3="6.27908"
                           zFract="0.28258686"/>
                     <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="2.06713"
                           xFract="0.24492062"
                           y3="8.41763"
                           yFract="0.99734953"
                           z3="6.05357"
                           zFract="0.27243789"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34852"
                           xFract="0.98916114"
                           y3="0.17254"
                           yFract="0.02044313"
                           z3="4.18524"
                           zFract="0.18835464"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03453"
                           xFract="0.00409123"
                           y3="0.07782"
                           yFract="0.00922038"
                           z3="8.41455"
                           zFract="0.37869262"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13168"
                           xFract="0.25256872"
                           y3="1.91177"
                           yFract="0.22651303"
                           z3="4.14334"
                           zFract="0.18646895"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11226"
                           xFract="0.25026777"
                           y3="2.1165"
                           yFract="0.25077014"
                           z3="8.50638"
                           zFract="0.38282538"/>
                     <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="4.21293"
                           xFract="0.49916232"
                           y3="2.10195"
                           yFract="0.24904621"
                           z3="6.33661"
                           zFract="0.28517597"/>
                     <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="6.3642"
                           xFract="0.75405213"
                           y3="0.14758"
                           yFract="0.01748578"
                           z3="6.35046"
                           zFract="0.28579928"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31601"
                           xFract="0.51137559"
                           y3="0.00669"
                           yFract="0.00079265"
                           z3="4.22914"
                           zFract="0.19033033"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21711"
                           xFract="0.49965758"
                           y3="0.03057"
                           yFract="0.00362204"
                           z3="8.49668"
                           zFract="0.38238884"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.28983"
                           xFract="0.74524052"
                           y3="2.00772"
                           yFract="0.23788152"
                           z3="4.09123"
                           zFract="0.18412376"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34871"
                           xFract="0.75221682"
                           y3="2.09229"
                           yFract="0.24790166"
                           z3="8.93059"
                           zFract="0.40191674"/>
                     <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="0.05416"
                           xFract="0.00641706"
                           y3="6.36329"
                           yFract="0.75394431"
                           z3="6.15841"
                           zFract="0.27715617"/>
                     <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="2.10539"
                           xFract="0.24945379"
                           y3="4.22788"
                           yFract="0.50093365"
                           z3="6.25179"
                           zFract="0.28135869"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00801"
                           xFract="0.00094905"
                           y3="3.99666"
                           yFract="0.47353791"
                           z3="4.23697"
                           zFract="0.19068272"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="4.12311"
                           yFract="0.48852014"
                           z3="8.49275"
                           zFract="0.38221197"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05094"
                           xFract="0.24300237"
                           y3="6.5083"
                           yFract="0.77112559"
                           z3="4.17403"
                           zFract="0.18785014"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07425"
                           xFract="0.24576422"
                           y3="6.35053"
                           yFract="0.75243246"
                           z3="8.40456"
                           zFract="0.37824302"/>
                     <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="4.17204"
                           xFract="0.49431754"
                           y3="6.32269"
                           yFract="0.74913389"
                           z3="6.25067"
                           zFract="0.28130828"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33378"
                           xFract="0.75044787"
                           y3="4.07581"
                           yFract="0.48291588"
                           z3="6.40168"
                           zFract="0.28810441"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21767"
                           xFract="0.49972393"
                           y3="4.17797"
                           yFract="0.49502014"
                           z3="4.18005"
                           zFract="0.18812106"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22295"
                           xFract="0.50034953"
                           y3="4.18797"
                           yFract="0.49620498"
                           z3="8.53932"
                           zFract="0.38430783"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41207"
                           xFract="0.75972393"
                           y3="6.43125"
                           yFract="0.76199645"
                           z3="4.29254"
                           zFract="0.19318362"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38937"
                           xFract="0.75703436"
                           y3="6.33683"
                           yFract="0.75080924"
                           z3="8.51534"
                           zFract="0.38322862"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34347"
                           xFract="0.75159597"
                           y3="2.0967"
                           yFract="0.24842417"
                           z3="9.9329"
                           zFract="0.4470252"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10853"
                           xFract="0.24982583"
                           y3="-0.01341"
                           yFract="-0.00158886"
                           z3="4.14545"
                           zFract="0.18656391"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00713"
                           xFract="0.00084479"
                           y3="2.08488"
                           yFract="0.2470237"
                           z3="4.19649"
                           zFract="0.18886094"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.13642"
                           xFract="0.49009716"
                           y3="2.09668"
                           yFract="0.2484218"
                           z3="8.41654"
                           zFract="0.37878218"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34257"
                           xFract="0.75148934"
                           y3="-0.00529"
                           yFract="-0.00062678"
                           z3="4.21166"
                           zFract="0.18954365"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02221"
                           xFract="0.00263152"
                           y3="8.42661"
                           yFract="0.99841351"
                           z3="6.32147"
                           zFract="0.2844946"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07116"
                           xFract="0.00843128"
                           y3="2.08634"
                           yFract="0.24719668"
                           z3="8.43745"
                           zFract="0.37972322"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09613"
                           xFract="0.24835664"
                           y3="6.35511"
                           yFract="0.75297512"
                           z3="6.33512"
                           zFract="0.28510891"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20644"
                           xFract="0.49839336"
                           y3="2.09029"
                           yFract="0.24766469"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34935"
                           xFract="0.75229265"
                           y3="8.36559"
                           yFract="0.99118365"
                           z3="8.37094"
                           zFract="0.37672997"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33305"
                           xFract="0.75036137"
                           y3="4.30474"
                           yFract="0.51004028"
                           z3="8.4229"
                           zFract="0.37906841"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09569"
                           xFract="0.2483045"
                           y3="4.20309"
                           yFract="0.49799645"
                           z3="4.1953"
                           zFract="0.18880738"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09385"
                           xFract="0.24808649"
                           y3="8.41841"
                           yFract="0.99744194"
                           z3="8.6260"
                           zFract="0.38820882"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35976"
                           xFract="0.75352607"
                           y3="6.33877"
                           yFract="0.7510391"
                           z3="6.35024"
                           zFract="0.28578938"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21825"
                           xFract="0.49979265"
                           y3="6.34652"
                           yFract="0.75195735"
                           z3="8.63867"
                           zFract="0.38877903"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35344"
                           xFract="0.75277725"
                           y3="4.24406"
                           yFract="0.50285071"
                           z3="4.20763"
                           zFract="0.18936229"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01856"
                           xFract="0.00219905"
                           y3="6.35803"
                           yFract="0.75332109"
                           z3="8.58031"
                           zFract="0.38615257"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01037"
                           xFract="0.00122867"
                           y3="6.31345"
                           yFract="0.7480391"
                           z3="4.16479"
                           zFract="0.18743429"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18771"
                           xFract="0.49617417"
                           y3="8.38739"
                           yFract="0.99376659"
                           z3="6.3951"
                           zFract="0.28780828"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22033"
                           xFract="0.5000391"
                           y3="4.25952"
                           yFract="0.50468246"
                           z3="6.37943"
                           zFract="0.28710306"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.09588"
                           xFract="0.24832701"
                           y3="2.09342"
                           yFract="0.24803555"
                           z3="6.35958"
                           zFract="0.28620972"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00352"
                           xFract="0.00041706"
                           y3="4.2714"
                           yFract="0.50609005"
                           z3="6.38479"
                           zFract="0.28734428"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34883"
                           xFract="0.75223104"
                           y3="2.11959"
                           yFract="0.25113626"
                           z3="6.12913"
                           zFract="0.27583843"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24045"
                           xFract="0.50242299"
                           y3="6.31211"
                           yFract="0.74788033"
                           z3="4.22197"
                           zFract="0.19000765"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11241"
                           xFract="0.25028555"
                           y3="4.25172"
                           yFract="0.50375829"
                           z3="8.50225"
                           zFract="0.38263951"/>
                     <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="0.03119"
                           xFract="0.0036955"
                           y3="2.06325"
                           yFract="0.2444609"
                           z3="6.28123"
                           zFract="0.28268362"/>
                     <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="2.06788"
                           xFract="0.24500948"
                           y3="8.41515"
                           yFract="0.99705569"
                           z3="6.05114"
                           zFract="0.27232853"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34912"
                           xFract="0.98923223"
                           y3="0.1772"
                           yFract="0.02099526"
                           z3="4.18551"
                           zFract="0.18836679"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03513"
                           xFract="0.00416232"
                           y3="0.07693"
                           yFract="0.00911493"
                           z3="8.4147"
                           zFract="0.37869937"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12792"
                           xFract="0.25212322"
                           y3="1.91747"
                           yFract="0.22718839"
                           z3="4.13898"
                           zFract="0.18627273"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11458"
                           xFract="0.25054265"
                           y3="2.11125"
                           yFract="0.2501481"
                           z3="8.50738"
                           zFract="0.38287039"/>
                     <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="4.19974"
                           xFract="0.49759953"
                           y3="2.1015"
                           yFract="0.24899289"
                           z3="6.33733"
                           zFract="0.28520837"/>
                     <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="6.3646"
                           xFract="0.75409953"
                           y3="0.14696"
                           yFract="0.01741232"
                           z3="6.36287"
                           zFract="0.28635779"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31463"
                           xFract="0.51121209"
                           y3="0.00651"
                           yFract="0.00077133"
                           z3="4.22728"
                           zFract="0.19024662"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21436"
                           xFract="0.49933175"
                           y3="0.02988"
                           yFract="0.00354028"
                           z3="8.49918"
                           zFract="0.38250135"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2907"
                           xFract="0.7453436"
                           y3="2.00464"
                           yFract="0.23751659"
                           z3="4.09532"
                           zFract="0.18430783"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34747"
                           xFract="0.75206991"
                           y3="2.08987"
                           yFract="0.24761493"
                           z3="8.95121"
                           zFract="0.40284473"/>
                     <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="0.04813"
                           xFract="0.00570261"
                           y3="6.3622"
                           yFract="0.75381517"
                           z3="6.15846"
                           zFract="0.27715842"/>
                     <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="2.10536"
                           xFract="0.24945024"
                           y3="4.2355"
                           yFract="0.50183649"
                           z3="6.25239"
                           zFract="0.28138569"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00894"
                           xFract="0.00105924"
                           y3="4.00034"
                           yFract="0.47397393"
                           z3="4.23756"
                           zFract="0.19070927"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00284"
                           xFract="0.00033649"
                           y3="4.12664"
                           yFract="0.48893839"
                           z3="8.49556"
                           zFract="0.38233843"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05065"
                           xFract="0.24296801"
                           y3="6.51455"
                           yFract="0.77186611"
                           z3="4.17361"
                           zFract="0.18783123"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07176"
                           xFract="0.24546919"
                           y3="6.35137"
                           yFract="0.75253199"
                           z3="8.40662"
                           zFract="0.37833573"/>
                     <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="4.1833"
                           xFract="0.49565166"
                           y3="6.32302"
                           yFract="0.74917299"
                           z3="6.25105"
                           zFract="0.28132538"/>
                     <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="6.33472"
                           xFract="0.75055924"
                           y3="4.0757"
                           yFract="0.48290284"
                           z3="6.41322"
                           zFract="0.28862376"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21684"
                           xFract="0.49962559"
                           y3="4.17882"
                           yFract="0.49512085"
                           z3="4.17955"
                           zFract="0.18809856"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22521"
                           xFract="0.5006173"
                           y3="4.19076"
                           yFract="0.49653555"
                           z3="8.54083"
                           zFract="0.38437579"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41331"
                           xFract="0.75987085"
                           y3="6.43334"
                           yFract="0.76224408"
                           z3="4.2954"
                           zFract="0.19331233"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38682"
                           xFract="0.75673223"
                           y3="6.33788"
                           yFract="0.75093365"
                           z3="8.50364"
                           zFract="0.38270207"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a43" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34324"
                           xFract="0.75156872"
                           y3="2.09589"
                           yFract="0.2483282"
                           z3="9.93665"
                           zFract="0.44719397"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10836"
                           xFract="0.24980569"
                           y3="-0.0129"
                           yFract="-0.00152844"
                           z3="4.14433"
                           zFract="0.1865135"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00811"
                           xFract="0.0009609"
                           y3="2.08547"
                           yFract="0.2470936"
                           z3="4.19702"
                           zFract="0.18888479"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.13842"
                           xFract="0.49033412"
                           y3="2.09635"
                           yFract="0.2483827"
                           z3="8.42024"
                           zFract="0.37894869"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34251"
                           xFract="0.75148223"
                           y3="-0.00181"
                           yFract="-0.00021445"
                           z3="4.21289"
                           zFract="0.18959901"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02326"
                           xFract="0.00275592"
                           y3="8.42713"
                           yFract="0.99847512"
                           z3="6.32116"
                           zFract="0.28448065"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06996"
                           xFract="0.0082891"
                           y3="2.08644"
                           yFract="0.24720853"
                           z3="8.44255"
                           zFract="0.37995275"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09725"
                           xFract="0.24848934"
                           y3="6.35508"
                           yFract="0.75297156"
                           z3="6.33673"
                           zFract="0.28518137"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20597"
                           xFract="0.49833768"
                           y3="2.09006"
                           yFract="0.24763744"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34931"
                           xFract="0.75228791"
                           y3="8.36644"
                           yFract="0.99128436"
                           z3="8.37357"
                           zFract="0.37684833"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33365"
                           xFract="0.75043246"
                           y3="4.3040"
                           yFract="0.50995261"
                           z3="8.4261"
                           zFract="0.37921242"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09543"
                           xFract="0.2482737"
                           y3="4.20211"
                           yFract="0.49788033"
                           z3="4.19491"
                           zFract="0.18878983"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09436"
                           xFract="0.24814692"
                           y3="8.41918"
                           yFract="0.99753318"
                           z3="8.62461"
                           zFract="0.38814626"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35947"
                           xFract="0.75349171"
                           y3="6.33944"
                           yFract="0.75111848"
                           z3="6.35259"
                           zFract="0.28589514"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21881"
                           xFract="0.499859"
                           y3="6.34593"
                           yFract="0.75188744"
                           z3="8.63636"
                           zFract="0.38867507"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35347"
                           xFract="0.75278081"
                           y3="4.24459"
                           yFract="0.50291351"
                           z3="4.20905"
                           zFract="0.18942619"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01884"
                           xFract="0.00223223"
                           y3="6.35704"
                           yFract="0.75320379"
                           z3="8.57804"
                           zFract="0.38605041"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01058"
                           xFract="0.00125355"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.16504"
                           zFract="0.18744554"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18794"
                           xFract="0.49620142"
                           y3="8.38708"
                           yFract="0.99372986"
                           z3="6.39357"
                           zFract="0.28773942"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22053"
                           xFract="0.5000628"
                           y3="4.25966"
                           yFract="0.50469905"
                           z3="6.37858"
                           zFract="0.28706481"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.09684"
                           xFract="0.24844076"
                           y3="2.09224"
                           yFract="0.24789573"
                           z3="6.36118"
                           zFract="0.28628173"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00341"
                           xFract="0.00040403"
                           y3="4.27095"
                           yFract="0.50603673"
                           z3="6.38297"
                           zFract="0.28726238"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35072"
                           xFract="0.75245498"
                           y3="2.11831"
                           yFract="0.2509846"
                           z3="6.13455"
                           zFract="0.27608236"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24076"
                           xFract="0.50245972"
                           y3="6.31204"
                           yFract="0.74787204"
                           z3="4.22212"
                           zFract="0.1900144"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11249"
                           xFract="0.25029502"
                           y3="4.25174"
                           yFract="0.50376066"
                           z3="8.50157"
                           zFract="0.38260891"/>
                     <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="0.0353"
                           xFract="0.00418246"
                           y3="2.06382"
                           yFract="0.24452844"
                           z3="6.2816"
                           zFract="0.28270027"/>
                     <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="2.06816"
                           xFract="0.24504265"
                           y3="8.41206"
                           yFract="0.99668957"
                           z3="6.04966"
                           zFract="0.27226193"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3496"
                           xFract="0.9892891"
                           y3="0.17667"
                           yFract="0.02093246"
                           z3="4.18592"
                           zFract="0.18838524"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03502"
                           xFract="0.00414929"
                           y3="0.07668"
                           yFract="0.00908531"
                           z3="8.41493"
                           zFract="0.37870972"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12662"
                           xFract="0.25196919"
                           y3="1.91673"
                           yFract="0.22710071"
                           z3="4.13716"
                           zFract="0.18619082"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="2.10924"
                           yFract="0.24990995"
                           z3="8.50872"
                           zFract="0.38293069"/>
                     <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="4.19546"
                           xFract="0.49709242"
                           y3="2.1015"
                           yFract="0.24899289"
                           z3="6.33874"
                           zFract="0.28527183"/>
                     <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="6.36406"
                           xFract="0.75403555"
                           y3="0.14745"
                           yFract="0.01747038"
                           z3="6.36731"
                           zFract="0.28655761"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31425"
                           xFract="0.51116706"
                           y3="0.00614"
                           yFract="0.00072749"
                           z3="4.22702"
                           zFract="0.19023492"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21413"
                           xFract="0.4993045"
                           y3="0.02971"
                           yFract="0.00352014"
                           z3="8.50026"
                           zFract="0.38254995"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2909"
                           xFract="0.7453673"
                           y3="2.00275"
                           yFract="0.23729265"
                           z3="4.10012"
                           zFract="0.18452385"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3464"
                           xFract="0.75194313"
                           y3="2.08882"
                           yFract="0.24749052"
                           z3="8.9609"
                           zFract="0.40328083"/>
                     <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="0.04712"
                           xFract="0.00558294"
                           y3="6.36255"
                           yFract="0.75385664"
                           z3="6.15925"
                           zFract="0.27719397"/>
                     <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="2.1056"
                           xFract="0.24947867"
                           y3="4.24071"
                           yFract="0.50245379"
                           z3="6.25328"
                           zFract="0.28142574"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00874"
                           xFract="0.00103555"
                           y3="3.99995"
                           yFract="0.47392773"
                           z3="4.23788"
                           zFract="0.19072367"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00364"
                           xFract="0.00043128"
                           y3="4.12747"
                           yFract="0.48903673"
                           z3="8.49797"
                           zFract="0.38244689"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0501"
                           xFract="0.24290284"
                           y3="6.51404"
                           yFract="0.77180569"
                           z3="4.17296"
                           zFract="0.18780198"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07129"
                           xFract="0.24541351"
                           y3="6.35223"
                           yFract="0.75263389"
                           z3="8.40808"
                           zFract="0.37840144"/>
                     <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="4.18627"
                           xFract="0.49600355"
                           y3="6.32366"
                           yFract="0.74924882"
                           z3="6.25134"
                           zFract="0.28133843"/>
                     <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="6.33486"
                           xFract="0.75057583"
                           y3="4.0749"
                           yFract="0.48280806"
                           z3="6.41708"
                           zFract="0.28879748"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21698"
                           xFract="0.49964218"
                           y3="4.17892"
                           yFract="0.4951327"
                           z3="4.17977"
                           zFract="0.18810846"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22522"
                           xFract="0.50061848"
                           y3="4.19093"
                           yFract="0.49655569"
                           z3="8.54217"
                           zFract="0.38443609"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41378"
                           xFract="0.75992654"
                           y3="6.43373"
                           yFract="0.76229028"
                           z3="4.29789"
                           zFract="0.19342439"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38558"
                           xFract="0.75658531"
                           y3="6.33903"
                           yFract="0.75106991"
                           z3="8.49981"
                           zFract="0.3825297"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34289"
                           xFract="0.75152725"
                           y3="2.09468"
                           yFract="0.24818483"
                           z3="9.94226"
                           zFract="0.44744644"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10811"
                           xFract="0.24977607"
                           y3="-0.01215"
                           yFract="-0.00143957"
                           z3="4.14265"
                           zFract="0.18643789"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00957"
                           xFract="0.00113389"
                           y3="2.08636"
                           yFract="0.24719905"
                           z3="4.19781"
                           zFract="0.18892034"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1414"
                           xFract="0.4906872"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="8.42574"
                           zFract="0.37919622"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34241"
                           xFract="0.75147038"
                           y3="0.00339"
                           yFract="0.00040166"
                           z3="4.21471"
                           zFract="0.18968092"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02483"
                           xFract="0.00294194"
                           y3="8.42791"
                           yFract="0.99856754"
                           z3="6.32071"
                           zFract="0.2844604"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06816"
                           xFract="0.00807583"
                           y3="2.08659"
                           yFract="0.2472263"
                           z3="8.45016"
                           zFract="0.38029523"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09892"
                           xFract="0.2486872"
                           y3="6.35503"
                           yFract="0.75296564"
                           z3="6.33911"
                           zFract="0.28528848"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20528"
                           xFract="0.49825592"
                           y3="2.08971"
                           yFract="0.24759597"
                           z3="4.19917"
                           zFract="0.18898155"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34924"
                           xFract="0.75227962"
                           y3="8.36772"
                           yFract="0.99143602"
                           z3="8.37749"
                           zFract="0.37702475"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33454"
                           xFract="0.75053791"
                           y3="4.30289"
                           yFract="0.50982109"
                           z3="8.43087"
                           zFract="0.37942709"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09506"
                           xFract="0.24822986"
                           y3="4.20065"
                           yFract="0.49770735"
                           z3="4.19433"
                           zFract="0.18876373"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09512"
                           xFract="0.24823697"
                           y3="8.42034"
                           yFract="0.99767062"
                           z3="8.62254"
                           zFract="0.38805311"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35904"
                           xFract="0.75344076"
                           y3="6.34043"
                           yFract="0.75123578"
                           z3="6.3561"
                           zFract="0.28605311"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21964"
                           xFract="0.49995735"
                           y3="6.34505"
                           yFract="0.75178318"
                           z3="8.63292"
                           zFract="0.38852025"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35352"
                           xFract="0.75278673"
                           y3="4.24538"
                           yFract="0.50300711"
                           z3="4.21118"
                           zFract="0.18952205"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01925"
                           xFract="0.00228081"
                           y3="6.35556"
                           yFract="0.75302844"
                           z3="8.57465"
                           zFract="0.38589784"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01089"
                           xFract="0.00129028"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.16541"
                           zFract="0.1874622"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18829"
                           xFract="0.49624289"
                           y3="8.38661"
                           yFract="0.99367417"
                           z3="6.3913"
                           zFract="0.28763726"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22084"
                           xFract="0.50009953"
                           y3="4.25988"
                           yFract="0.50472512"
                           z3="6.37732"
                           zFract="0.2870081"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.09827"
                           xFract="0.24861019"
                           y3="2.09049"
                           yFract="0.24768839"
                           z3="6.36356"
                           zFract="0.28638884"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00325"
                           xFract="0.00038507"
                           y3="4.27028"
                           yFract="0.50595735"
                           z3="6.38026"
                           zFract="0.28714041"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35354"
                           xFract="0.7527891"
                           y3="2.1164"
                           yFract="0.25075829"
                           z3="6.14262"
                           zFract="0.27644554"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24123"
                           xFract="0.5025154"
                           y3="6.31193"
                           yFract="0.747859"
                           z3="4.22236"
                           zFract="0.1900252"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1126"
                           xFract="0.25030806"
                           y3="4.25176"
                           yFract="0.50376303"
                           z3="8.50055"
                           zFract="0.38256301"/>
                     <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="0.04144"
                           xFract="0.00490995"
                           y3="2.06468"
                           yFract="0.24463033"
                           z3="6.28216"
                           zFract="0.28272547"/>
                     <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="2.06858"
                           xFract="0.24509242"
                           y3="8.40745"
                           yFract="0.99614336"
                           z3="6.04746"
                           zFract="0.27216292"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3503"
                           xFract="0.98937204"
                           y3="0.17589"
                           yFract="0.02084005"
                           z3="4.18653"
                           zFract="0.18841269"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03485"
                           xFract="0.00412915"
                           y3="0.07631"
                           yFract="0.00904147"
                           z3="8.41526"
                           zFract="0.37872457"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12469"
                           xFract="0.25174052"
                           y3="1.91562"
                           yFract="0.22696919"
                           z3="4.13445"
                           zFract="0.18606886"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11724"
                           xFract="0.25085782"
                           y3="2.10625"
                           yFract="0.24955569"
                           z3="8.51073"
                           zFract="0.38302115"/>
                     <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="4.18909"
                           xFract="0.49633768"
                           y3="2.1015"
                           yFract="0.24899289"
                           z3="6.34086"
                           zFract="0.28536724"/>
                     <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="6.36325"
                           xFract="0.75393957"
                           y3="0.14818"
                           yFract="0.01755687"
                           z3="6.37395"
                           zFract="0.28685644"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31368"
                           xFract="0.51109953"
                           y3="0.00558"
                           yFract="0.00066114"
                           z3="4.22664"
                           zFract="0.19021782"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2138"
                           xFract="0.4992654"
                           y3="0.02945"
                           yFract="0.00348934"
                           z3="8.50188"
                           zFract="0.38262286"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29119"
                           xFract="0.74540166"
                           y3="1.99993"
                           yFract="0.23695853"
                           z3="4.10728"
                           zFract="0.18484608"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34479"
                           xFract="0.75175237"
                           y3="2.08725"
                           yFract="0.2473045"
                           z3="8.97536"
                           zFract="0.40393159"/>
                     <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="0.04561"
                           xFract="0.00540403"
                           y3="6.36307"
                           yFract="0.75391825"
                           z3="6.16042"
                           zFract="0.27724662"/>
                     <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="2.10597"
                           xFract="0.24952251"
                           y3="4.24847"
                           yFract="0.50337322"
                           z3="6.25462"
                           zFract="0.28148605"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00845"
                           xFract="0.00100118"
                           y3="3.99935"
                           yFract="0.47385664"
                           z3="4.23837"
                           zFract="0.19074572"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00482"
                           xFract="0.00057109"
                           y3="4.1287"
                           yFract="0.48918246"
                           z3="8.50155"
                           zFract="0.38260801"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04929"
                           xFract="0.24280687"
                           y3="6.51327"
                           yFract="0.77171445"
                           z3="4.1720"
                           zFract="0.18775878"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07058"
                           xFract="0.24532938"
                           y3="6.35351"
                           yFract="0.75278555"
                           z3="8.41024"
                           zFract="0.37849865"/>
                     <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="4.19071"
                           xFract="0.49652962"
                           y3="6.32462"
                           yFract="0.74936256"
                           z3="6.25176"
                           zFract="0.28135734"/>
                     <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="6.33507"
                           xFract="0.75060071"
                           y3="4.0737"
                           yFract="0.48266588"
                           z3="6.42283"
                           zFract="0.28905626"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2172"
                           xFract="0.49966825"
                           y3="4.17906"
                           yFract="0.49514929"
                           z3="4.18012"
                           zFract="0.18812421"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22522"
                           xFract="0.50061848"
                           y3="4.19118"
                           yFract="0.49658531"
                           z3="8.54417"
                           zFract="0.3845261"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41449"
                           xFract="0.76001066"
                           y3="6.4343"
                           yFract="0.76235782"
                           z3="4.3016"
                           zFract="0.19359136"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38374"
                           xFract="0.7563673"
                           y3="6.34075"
                           yFract="0.7512737"
                           z3="8.49409"
                           zFract="0.38227228"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34272"
                           xFract="0.75150711"
                           y3="2.09417"
                           yFract="0.24812441"
                           z3="9.94723"
                           zFract="0.44767012"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10805"
                           xFract="0.24976896"
                           y3="-0.01122"
                           yFract="-0.00132938"
                           z3="4.14196"
                           zFract="0.18640684"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01001"
                           xFract="0.00118602"
                           y3="2.08722"
                           yFract="0.24730095"
                           z3="4.19806"
                           zFract="0.18893159"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1424"
                           xFract="0.49080569"
                           y3="2.09574"
                           yFract="0.24831043"
                           z3="8.42796"
                           zFract="0.37929613"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34227"
                           xFract="0.75145379"
                           y3="0.00491"
                           yFract="0.00058175"
                           z3="4.21545"
                           zFract="0.18971422"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0256"
                           xFract="0.00303318"
                           y3="8.4281"
                           yFract="0.99859005"
                           z3="6.32076"
                           zFract="0.28446265"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06755"
                           xFract="0.00800355"
                           y3="2.08665"
                           yFract="0.24723341"
                           z3="8.45329"
                           zFract="0.38043609"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.09954"
                           xFract="0.24876066"
                           y3="6.35505"
                           yFract="0.75296801"
                           z3="6.33991"
                           zFract="0.28532448"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20503"
                           xFract="0.4982263"
                           y3="2.08952"
                           yFract="0.24757346"
                           z3="4.19916"
                           zFract="0.1889811"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34922"
                           xFract="0.75227725"
                           y3="8.36795"
                           yFract="0.99146327"
                           z3="8.3795"
                           zFract="0.37711521"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33491"
                           xFract="0.75058175"
                           y3="4.30277"
                           yFract="0.50980687"
                           z3="8.43296"
                           zFract="0.37952115"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09486"
                           xFract="0.24820616"
                           y3="4.2001"
                           yFract="0.49764218"
                           z3="4.19435"
                           zFract="0.18876463"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09538"
                           xFract="0.24826777"
                           y3="8.42055"
                           yFract="0.9976955"
                           z3="8.62176"
                           zFract="0.388018"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35892"
                           xFract="0.75342654"
                           y3="6.34086"
                           yFract="0.75128673"
                           z3="6.35711"
                           zFract="0.28609856"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21982"
                           xFract="0.49997867"
                           y3="6.34473"
                           yFract="0.75174526"
                           z3="8.63154"
                           zFract="0.38845815"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.3536"
                           xFract="0.75279621"
                           y3="4.24559"
                           yFract="0.50303199"
                           z3="4.21201"
                           zFract="0.18955941"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01934"
                           xFract="0.00229147"
                           y3="6.35505"
                           yFract="0.75296801"
                           z3="8.57318"
                           zFract="0.38583168"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01098"
                           xFract="0.00130095"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.16568"
                           zFract="0.18747435"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18841"
                           xFract="0.49625711"
                           y3="8.38648"
                           yFract="0.99365877"
                           z3="6.39056"
                           zFract="0.28760396"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22088"
                           xFract="0.50010427"
                           y3="4.25995"
                           yFract="0.50473341"
                           z3="6.37695"
                           zFract="0.28699145"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.09878"
                           xFract="0.24867062"
                           y3="2.08989"
                           yFract="0.2476173"
                           z3="6.36453"
                           zFract="0.28643249"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00333"
                           xFract="0.00039455"
                           y3="4.26993"
                           yFract="0.50591588"
                           z3="6.37936"
                           zFract="0.28709991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35471"
                           xFract="0.75292773"
                           y3="2.1159"
                           yFract="0.25069905"
                           z3="6.14626"
                           zFract="0.27660936"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24156"
                           xFract="0.5025545"
                           y3="6.31191"
                           yFract="0.74785664"
                           z3="4.22251"
                           zFract="0.19003195"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11273"
                           xFract="0.25032346"
                           y3="4.25188"
                           yFract="0.50377725"
                           z3="8.50006"
                           zFract="0.38254095"/>
                     <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="0.04345"
                           xFract="0.0051481"
                           y3="2.06512"
                           yFract="0.24468246"
                           z3="6.28231"
                           zFract="0.28273222"/>
                     <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="2.06876"
                           xFract="0.24511374"
                           y3="8.40547"
                           yFract="0.99590877"
                           z3="6.04661"
                           zFract="0.27212466"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35053"
                           xFract="0.98939929"
                           y3="0.17541"
                           yFract="0.02078318"
                           z3="4.18683"
                           zFract="0.18842619"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03481"
                           xFract="0.00412441"
                           y3="0.07624"
                           yFract="0.00903318"
                           z3="8.41545"
                           zFract="0.37873312"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12412"
                           xFract="0.25167299"
                           y3="1.91487"
                           yFract="0.22688033"
                           z3="4.13354"
                           zFract="0.1860279"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11779"
                           xFract="0.25092299"
                           y3="2.1052"
                           yFract="0.24943128"
                           z3="8.51162"
                           zFract="0.38306121"/>
                     <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="4.18703"
                           xFract="0.4960936"
                           y3="2.10153"
                           yFract="0.24899645"
                           z3="6.34184"
                           zFract="0.28541134"/>
                     <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="6.36288"
                           xFract="0.75389573"
                           y3="0.14882"
                           yFract="0.0176327"
                           z3="6.37623"
                           zFract="0.28695905"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31355"
                           xFract="0.51108412"
                           y3="0.00546"
                           yFract="0.00064692"
                           z3="4.22661"
                           zFract="0.19021647"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21379"
                           xFract="0.49926422"
                           y3="0.02935"
                           yFract="0.00347749"
                           z3="8.50244"
                           zFract="0.38264806"/>
                     <atom elementType="O"
                           id="a59"
                           x3="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="1.99913"
                           yFract="0.23686374"
                           z3="4.1102"
                           zFract="0.1849775"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34414"
                           xFract="0.75167536"
                           y3="2.08662"
                           yFract="0.24722986"
                           z3="8.97703"
                           zFract="0.40400675"/>
                     <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="0.0453"
                           xFract="0.0053673"
                           y3="6.36336"
                           yFract="0.75395261"
                           z3="6.16103"
                           zFract="0.27727408"/>
                     <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="2.10613"
                           xFract="0.24954147"
                           y3="4.25155"
                           yFract="0.50373815"
                           z3="6.25522"
                           zFract="0.28151305"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0082"
                           xFract="0.00097156"
                           y3="3.99892"
                           yFract="0.47380569"
                           z3="4.23858"
                           zFract="0.19075518"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00542"
                           xFract="0.00064218"
                           y3="4.12904"
                           yFract="0.48922275"
                           z3="8.50311"
                           zFract="0.38267822"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04899"
                           xFract="0.24277133"
                           y3="6.51256"
                           yFract="0.77163033"
                           z3="4.17151"
                           zFract="0.18773672"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07054"
                           xFract="0.24532464"
                           y3="6.35419"
                           yFract="0.75286611"
                           z3="8.41118"
                           zFract="0.37854095"/>
                     <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="4.1921"
                           xFract="0.49669431"
                           y3="6.32498"
                           yFract="0.74940521"
                           z3="6.25199"
                           zFract="0.28136769"/>
                     <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="6.33512"
                           xFract="0.75060664"
                           y3="4.07274"
                           yFract="0.48255213"
                           z3="6.42487"
                           zFract="0.28914806"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2174"
                           xFract="0.49969194"
                           y3="4.17901"
                           yFract="0.49514336"
                           z3="4.18035"
                           zFract="0.18813456"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22506"
                           xFract="0.50059953"
                           y3="4.1911"
                           yFract="0.49657583"
                           z3="8.54504"
                           zFract="0.38456526"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41475"
                           xFract="0.76004147"
                           y3="6.43466"
                           yFract="0.76240047"
                           z3="4.30324"
                           zFract="0.19366517"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38308"
                           xFract="0.7562891"
                           y3="6.34129"
                           yFract="0.75133768"
                           z3="8.49224"
                           zFract="0.38218902"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3422"
                           xFract="0.7514455"
                           y3="2.09264"
                           yFract="0.24794313"
                           z3="9.96215"
                           zFract="0.44834158"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10785"
                           xFract="0.24974526"
                           y3="-0.00843"
                           yFract="-0.00099882"
                           z3="4.13991"
                           zFract="0.18631458"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01135"
                           xFract="0.00134479"
                           y3="2.08983"
                           yFract="0.24761019"
                           z3="4.19882"
                           zFract="0.1889658"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1454"
                           xFract="0.49116114"
                           y3="2.09542"
                           yFract="0.24827251"
                           z3="8.43462"
                           zFract="0.37959586"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34186"
                           xFract="0.75140521"
                           y3="0.00949"
                           yFract="0.00112441"
                           z3="4.21768"
                           zFract="0.18981458"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02791"
                           xFract="0.00330687"
                           y3="8.42867"
                           yFract="0.99865758"
                           z3="6.3209"
                           zFract="0.28446895"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06571"
                           xFract="0.00778555"
                           y3="2.08682"
                           yFract="0.24725355"
                           z3="8.46266"
                           zFract="0.38085779"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10139"
                           xFract="0.24897986"
                           y3="6.35512"
                           yFract="0.7529763"
                           z3="6.3423"
                           zFract="0.28543204"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20426"
                           xFract="0.49813507"
                           y3="2.08896"
                           yFract="0.24750711"
                           z3="4.1991"
                           zFract="0.1889784"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34916"
                           xFract="0.75227014"
                           y3="8.36864"
                           yFract="0.99154502"
                           z3="8.38551"
                           zFract="0.37738569"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33604"
                           xFract="0.75071564"
                           y3="4.30239"
                           yFract="0.50976185"
                           z3="8.43926"
                           zFract="0.37980468"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09429"
                           xFract="0.24813863"
                           y3="4.19845"
                           yFract="0.49744668"
                           z3="4.19443"
                           zFract="0.18876823"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09614"
                           xFract="0.24835782"
                           y3="8.42118"
                           yFract="0.99777014"
                           z3="8.61939"
                           zFract="0.38791134"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35857"
                           xFract="0.75338507"
                           y3="6.34213"
                           yFract="0.7514372"
                           z3="6.36015"
                           zFract="0.28623537"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.22036"
                           xFract="0.50004265"
                           y3="6.34379"
                           yFract="0.75163389"
                           z3="8.62738"
                           zFract="0.38827093"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35385"
                           xFract="0.75282583"
                           y3="4.2462"
                           yFract="0.50310427"
                           z3="4.21451"
                           zFract="0.18967192"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01963"
                           xFract="0.00232583"
                           y3="6.35354"
                           yFract="0.7527891"
                           z3="8.56877"
                           zFract="0.38563321"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01125"
                           xFract="0.00133294"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.16648"
                           zFract="0.18751035"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18875"
                           xFract="0.49629739"
                           y3="8.3861"
                           yFract="0.99361374"
                           z3="6.38833"
                           zFract="0.2875036"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22099"
                           xFract="0.5001173"
                           y3="4.26015"
                           yFract="0.50475711"
                           z3="6.37583"
                           zFract="0.28694104"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10029"
                           xFract="0.24884953"
                           y3="2.08809"
                           yFract="0.24740403"
                           z3="6.36742"
                           zFract="0.28656256"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00357"
                           xFract="0.00042299"
                           y3="4.26887"
                           yFract="0.50579028"
                           z3="6.37668"
                           zFract="0.2869793"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35824"
                           xFract="0.75334597"
                           y3="2.11439"
                           yFract="0.25052014"
                           z3="6.15718"
                           zFract="0.27710081"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24254"
                           xFract="0.50267062"
                           y3="6.31187"
                           yFract="0.7478519"
                           z3="4.22295"
                           zFract="0.19005176"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11311"
                           xFract="0.25036848"
                           y3="4.25223"
                           yFract="0.50381872"
                           z3="8.49859"
                           zFract="0.3824748"/>
                     <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="0.04948"
                           xFract="0.00586256"
                           y3="2.06644"
                           yFract="0.24483886"
                           z3="6.28277"
                           zFract="0.28275293"/>
                     <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="2.06929"
                           xFract="0.24517654"
                           y3="8.39956"
                           yFract="0.99520853"
                           z3="6.04407"
                           zFract="0.27201035"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35122"
                           xFract="0.98948104"
                           y3="0.17397"
                           yFract="0.02061256"
                           z3="4.18774"
                           zFract="0.18846715"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03467"
                           xFract="0.00410782"
                           y3="0.07604"
                           yFract="0.00900948"
                           z3="8.41601"
                           zFract="0.37875833"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1224"
                           xFract="0.25146919"
                           y3="1.91264"
                           yFract="0.22661611"
                           z3="4.1308"
                           zFract="0.18590459"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11943"
                           xFract="0.2511173"
                           y3="2.10203"
                           yFract="0.24905569"
                           z3="8.51426"
                           zFract="0.38318002"/>
                     <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="4.18086"
                           xFract="0.49536256"
                           y3="2.10164"
                           yFract="0.24900948"
                           z3="6.34481"
                           zFract="0.285545"/>
                     <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="6.36179"
                           xFract="0.75376659"
                           y3="0.15074"
                           yFract="0.01786019"
                           z3="6.38309"
                           zFract="0.28726778"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31316"
                           xFract="0.51103791"
                           y3="0.0051"
                           yFract="0.00060427"
                           z3="4.22651"
                           zFract="0.19021197"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21376"
                           xFract="0.49926066"
                           y3="0.02905"
                           yFract="0.00344194"
                           z3="8.50413"
                           zFract="0.38272412"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.2915"
                           xFract="0.74543839"
                           y3="1.99673"
                           yFract="0.23657938"
                           z3="4.11896"
                           zFract="0.18537174"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34218"
                           xFract="0.75144313"
                           y3="2.08473"
                           yFract="0.24700592"
                           z3="8.98205"
                           zFract="0.40423267"/>
                     <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="0.04437"
                           xFract="0.00525711"
                           y3="6.36423"
                           yFract="0.75405569"
                           z3="6.16287"
                           zFract="0.27735689"/>
                     <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="2.10661"
                           xFract="0.24959834"
                           y3="4.26077"
                           yFract="0.50483057"
                           z3="6.25704"
                           zFract="0.28159496"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00744"
                           xFract="0.00088152"
                           y3="3.99763"
                           yFract="0.47365284"
                           z3="4.23919"
                           zFract="0.19078263"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00719"
                           xFract="0.0008519"
                           y3="4.13006"
                           yFract="0.4893436"
                           z3="8.50778"
                           zFract="0.38288839"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0481"
                           xFract="0.24266588"
                           y3="6.51044"
                           yFract="0.77137915"
                           z3="4.17004"
                           zFract="0.18767057"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07039"
                           xFract="0.24530687"
                           y3="6.35622"
                           yFract="0.75310664"
                           z3="8.41399"
                           zFract="0.37866742"/>
                     <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="4.19629"
                           xFract="0.49719076"
                           y3="6.32605"
                           yFract="0.74953199"
                           z3="6.25268"
                           zFract="0.28139874"/>
                     <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="6.33524"
                           xFract="0.75062085"
                           y3="4.06984"
                           yFract="0.48220853"
                           z3="6.43098"
                           zFract="0.28942304"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21799"
                           xFract="0.49976185"
                           y3="4.17887"
                           yFract="0.49512678"
                           z3="4.18104"
                           zFract="0.18816562"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22457"
                           xFract="0.50054147"
                           y3="4.19086"
                           yFract="0.49654739"
                           z3="8.54764"
                           zFract="0.38468227"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41553"
                           xFract="0.76013389"
                           y3="6.43574"
                           yFract="0.76252844"
                           z3="4.30817"
                           zFract="0.19388704"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38112"
                           xFract="0.75605687"
                           y3="6.34291"
                           yFract="0.75152962"
                           z3="8.48669"
                           zFract="0.38193924"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34216"
                           xFract="0.75144076"
                           y3="2.09251"
                           yFract="0.24792773"
                           z3="9.96336"
                           zFract="0.44839604"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10783"
                           xFract="0.24974289"
                           y3="-0.0082"
                           yFract="-0.00097156"
                           z3="4.13975"
                           zFract="0.18630738"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01146"
                           xFract="0.00135782"
                           y3="2.09004"
                           yFract="0.24763507"
                           z3="4.19888"
                           zFract="0.1889685"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14564"
                           xFract="0.49118957"
                           y3="2.09539"
                           yFract="0.24826896"
                           z3="8.43516"
                           zFract="0.37962016"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34183"
                           xFract="0.75140166"
                           y3="0.00986"
                           yFract="0.00116825"
                           z3="4.21786"
                           zFract="0.18982268"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02809"
                           xFract="0.0033282"
                           y3="8.42871"
                           yFract="0.99866232"
                           z3="6.32091"
                           zFract="0.2844694"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06556"
                           xFract="0.00776777"
                           y3="2.08684"
                           yFract="0.24725592"
                           z3="8.46342"
                           zFract="0.38089199"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10155"
                           xFract="0.24899882"
                           y3="6.35512"
                           yFract="0.7529763"
                           z3="6.34249"
                           zFract="0.28544059"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20419"
                           xFract="0.49812678"
                           y3="2.08892"
                           yFract="0.24750237"
                           z3="4.1991"
                           zFract="0.1889784"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34915"
                           xFract="0.75226896"
                           y3="8.36869"
                           yFract="0.99155095"
                           z3="8.38599"
                           zFract="0.37740729"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33613"
                           xFract="0.7507263"
                           y3="4.30236"
                           yFract="0.50975829"
                           z3="8.43977"
                           zFract="0.37982763"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09425"
                           xFract="0.24813389"
                           y3="4.19831"
                           yFract="0.49743009"
                           z3="4.19443"
                           zFract="0.18876823"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09621"
                           xFract="0.24836611"
                           y3="8.42123"
                           yFract="0.99777607"
                           z3="8.6192"
                           zFract="0.38790279"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35854"
                           xFract="0.75338152"
                           y3="6.34224"
                           yFract="0.75145024"
                           z3="6.3604"
                           zFract="0.28624662"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.22041"
                           xFract="0.50004858"
                           y3="6.34371"
                           yFract="0.75162441"
                           z3="8.62704"
                           zFract="0.38825563"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35387"
                           xFract="0.7528282"
                           y3="4.24625"
                           yFract="0.50311019"
                           z3="4.21471"
                           zFract="0.18968092"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01965"
                           xFract="0.0023282"
                           y3="6.35342"
                           yFract="0.75277488"
                           z3="8.56841"
                           zFract="0.38561701"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01127"
                           xFract="0.00133531"
                           y3="6.31344"
                           yFract="0.74803791"
                           z3="4.16654"
                           zFract="0.18751305"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18878"
                           xFract="0.49630095"
                           y3="8.38606"
                           yFract="0.993609"
                           z3="6.38815"
                           zFract="0.2874955"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2210"
                           xFract="0.50011848"
                           y3="4.26017"
                           yFract="0.50475948"
                           z3="6.37574"
                           zFract="0.28693699"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10042"
                           xFract="0.24886493"
                           y3="2.08794"
                           yFract="0.24738626"
                           z3="6.36766"
                           zFract="0.28657336"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00359"
                           xFract="0.00042536"
                           y3="4.26878"
                           yFract="0.50577962"
                           z3="6.37646"
                           zFract="0.2869694"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35853"
                           xFract="0.75338033"
                           y3="2.11427"
                           yFract="0.25050592"
                           z3="6.15807"
                           zFract="0.27714086"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24262"
                           xFract="0.50268009"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.22299"
                           zFract="0.19005356"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11314"
                           xFract="0.25037204"
                           y3="4.25226"
                           yFract="0.50382227"
                           z3="8.49847"
                           zFract="0.3824694"/>
                     <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="0.04997"
                           xFract="0.00592062"
                           y3="2.06655"
                           yFract="0.2448519"
                           z3="6.28281"
                           zFract="0.28275473"/>
                     <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="2.06933"
                           xFract="0.24518128"
                           y3="8.39907"
                           yFract="0.99515047"
                           z3="6.04386"
                           zFract="0.2720009"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35128"
                           xFract="0.98948815"
                           y3="0.17385"
                           yFract="0.02059834"
                           z3="4.18782"
                           zFract="0.18847075"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03466"
                           xFract="0.00410664"
                           y3="0.07602"
                           yFract="0.00900711"
                           z3="8.41605"
                           zFract="0.37876013"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12226"
                           xFract="0.25145261"
                           y3="1.91245"
                           yFract="0.2265936"
                           z3="4.13058"
                           zFract="0.18589469"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11956"
                           xFract="0.2511327"
                           y3="2.10178"
                           yFract="0.24902607"
                           z3="8.51448"
                           zFract="0.38318992"/>
                     <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="4.18036"
                           xFract="0.49530332"
                           y3="2.10165"
                           yFract="0.24901066"
                           z3="6.34505"
                           zFract="0.28555581"/>
                     <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="6.3617"
                           xFract="0.75375592"
                           y3="0.15089"
                           yFract="0.01787796"
                           z3="6.38365"
                           zFract="0.28729298"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31313"
                           xFract="0.51103436"
                           y3="0.00507"
                           yFract="0.00060071"
                           z3="4.2265"
                           zFract="0.19021152"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21376"
                           xFract="0.49926066"
                           y3="0.02902"
                           yFract="0.00343839"
                           z3="8.50427"
                           zFract="0.38273042"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29152"
                           xFract="0.74544076"
                           y3="1.99654"
                           yFract="0.23655687"
                           z3="4.11967"
                           zFract="0.18540369"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34202"
                           xFract="0.75142417"
                           y3="2.08457"
                           yFract="0.24698697"
                           z3="8.98246"
                           zFract="0.40425113"/>
                     <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="0.04429"
                           xFract="0.00524763"
                           y3="6.36431"
                           yFract="0.75406517"
                           z3="6.16302"
                           zFract="0.27736364"/>
                     <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="2.10665"
                           xFract="0.24960308"
                           y3="4.26152"
                           yFract="0.50491943"
                           z3="6.25719"
                           zFract="0.28160171"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00738"
                           xFract="0.00087441"
                           y3="3.99752"
                           yFract="0.47363981"
                           z3="4.23924"
                           zFract="0.19078488"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00733"
                           xFract="0.00086848"
                           y3="4.13015"
                           yFract="0.48935427"
                           z3="8.50816"
                           zFract="0.38290549"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04803"
                           xFract="0.24265758"
                           y3="6.51026"
                           yFract="0.77135782"
                           z3="4.16992"
                           zFract="0.18766517"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07038"
                           xFract="0.24530569"
                           y3="6.35639"
                           yFract="0.75312678"
                           z3="8.41422"
                           zFract="0.37867777"/>
                     <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="4.19663"
                           xFract="0.49723104"
                           y3="6.32614"
                           yFract="0.74954265"
                           z3="6.25274"
                           zFract="0.28140144"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33525"
                           xFract="0.75062204"
                           y3="4.06961"
                           yFract="0.48218128"
                           z3="6.43148"
                           zFract="0.28944554"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21804"
                           xFract="0.49976777"
                           y3="4.17886"
                           yFract="0.49512559"
                           z3="4.1811"
                           zFract="0.18816832"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22453"
                           xFract="0.50053673"
                           y3="4.19084"
                           yFract="0.49654502"
                           z3="8.54785"
                           zFract="0.38469172"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41559"
                           xFract="0.760141"
                           y3="6.43583"
                           yFract="0.7625391"
                           z3="4.30858"
                           zFract="0.19390549"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38096"
                           xFract="0.75603791"
                           y3="6.34305"
                           yFract="0.75154621"
                           z3="8.48623"
                           zFract="0.38191854"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34196"
                           xFract="0.75141706"
                           y3="2.09207"
                           yFract="0.24787559"
                           z3="9.96442"
                           zFract="0.44844374"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10774"
                           xFract="0.24973223"
                           y3="-0.00832"
                           yFract="-0.00098578"
                           z3="4.13944"
                           zFract="0.18629343"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01133"
                           xFract="0.00134242"
                           y3="2.09031"
                           yFract="0.24766706"
                           z3="4.19902"
                           zFract="0.1889748"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14578"
                           xFract="0.49120616"
                           y3="2.0955"
                           yFract="0.24828199"
                           z3="8.4364"
                           zFract="0.37967597"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34179"
                           xFract="0.75139692"
                           y3="0.00919"
                           yFract="0.00108886"
                           z3="4.21849"
                           zFract="0.18985104"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02856"
                           xFract="0.00338389"
                           y3="8.42871"
                           yFract="0.99866232"
                           z3="6.32136"
                           zFract="0.28448965"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06557"
                           xFract="0.00776896"
                           y3="2.08682"
                           yFract="0.24725355"
                           z3="8.46532"
                           zFract="0.3809775"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10172"
                           xFract="0.24901896"
                           y3="6.35534"
                           yFract="0.75300237"
                           z3="6.34258"
                           zFract="0.28544464"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20428"
                           xFract="0.49813744"
                           y3="2.08881"
                           yFract="0.24748934"
                           z3="4.19927"
                           zFract="0.18898605"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34911"
                           xFract="0.75226422"
                           y3="8.36843"
                           yFract="0.99152014"
                           z3="8.38778"
                           zFract="0.37748785"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33637"
                           xFract="0.75075474"
                           y3="4.30284"
                           yFract="0.50981517"
                           z3="8.4412"
                           zFract="0.37989199"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09415"
                           xFract="0.24812204"
                           y3="4.19818"
                           yFract="0.49741469"
                           z3="4.19489"
                           zFract="0.18878893"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09629"
                           xFract="0.24837559"
                           y3="8.42101"
                           yFract="0.99775"
                           z3="8.61891"
                           zFract="0.38788974"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35866"
                           xFract="0.75339573"
                           y3="6.34256"
                           yFract="0.75148815"
                           z3="6.36029"
                           zFract="0.28624167"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.22022"
                           xFract="0.50002607"
                           y3="6.34362"
                           yFract="0.75161374"
                           z3="8.62625"
                           zFract="0.38822007"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35394"
                           xFract="0.75283649"
                           y3="4.24611"
                           yFract="0.5030936"
                           z3="4.21522"
                           zFract="0.18970387"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01959"
                           xFract="0.00232109"
                           y3="6.35328"
                           yFract="0.75275829"
                           z3="8.56733"
                           zFract="0.38556841"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01127"
                           xFract="0.00133531"
                           y3="6.31356"
                           yFract="0.74805213"
                           z3="4.16695"
                           zFract="0.1875315"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18893"
                           xFract="0.49631872"
                           y3="8.3863"
                           yFract="0.99363744"
                           z3="6.38818"
                           zFract="0.28749685"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2211"
                           xFract="0.50013033"
                           y3="4.26001"
                           yFract="0.50474052"
                           z3="6.37581"
                           zFract="0.28694014"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10063"
                           xFract="0.24888981"
                           y3="2.08771"
                           yFract="0.247359"
                           z3="6.36852"
                           zFract="0.28661206"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00376"
                           xFract="0.0004455"
                           y3="4.26847"
                           yFract="0.50574289"
                           z3="6.37652"
                           zFract="0.2869721"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.35916"
                           xFract="0.75345498"
                           y3="2.11448"
                           yFract="0.25053081"
                           z3="6.16085"
                           zFract="0.27726598"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24296"
                           xFract="0.50272038"
                           y3="6.31191"
                           yFract="0.74785664"
                           z3="4.22305"
                           zFract="0.19005626"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11336"
                           xFract="0.2503981"
                           y3="4.25237"
                           yFract="0.50383531"
                           z3="8.49816"
                           zFract="0.38245545"/>
                     <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="0.05078"
                           xFract="0.00601659"
                           y3="2.06703"
                           yFract="0.24490877"
                           z3="6.28278"
                           zFract="0.28275338"/>
                     <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="2.06949"
                           xFract="0.24520024"
                           y3="8.39798"
                           yFract="0.99502133"
                           z3="6.04346"
                           zFract="0.2719829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35124"
                           xFract="0.98948341"
                           y3="0.17385"
                           yFract="0.02059834"
                           z3="4.1881"
                           zFract="0.18848335"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03477"
                           xFract="0.00411967"
                           y3="0.07617"
                           yFract="0.00902488"
                           z3="8.41633"
                           zFract="0.37877273"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12233"
                           xFract="0.2514609"
                           y3="1.91215"
                           yFract="0.22655806"
                           z3="4.13041"
                           zFract="0.18588704"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1197"
                           xFract="0.25114929"
                           y3="2.10131"
                           yFract="0.24897038"
                           z3="8.51514"
                           zFract="0.38321962"/>
                     <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="4.1797"
                           xFract="0.49522512"
                           y3="2.10177"
                           yFract="0.24902488"
                           z3="6.3459"
                           zFract="0.28559406"/>
                     <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="6.36155"
                           xFract="0.75373815"
                           y3="0.15192"
                           yFract="0.0180"
                           z3="6.38467"
                           zFract="0.28733888"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31321"
                           xFract="0.51104384"
                           y3="0.0053"
                           yFract="0.00062796"
                           z3="4.22664"
                           zFract="0.19021782"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21387"
                           xFract="0.4992737"
                           y3="0.02894"
                           yFract="0.00342891"
                           z3="8.50449"
                           zFract="0.38274032"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29155"
                           xFract="0.74544431"
                           y3="1.99698"
                           yFract="0.236609"
                           z3="4.12115"
                           zFract="0.1854703"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34162"
                           xFract="0.75137678"
                           y3="2.08428"
                           yFract="0.24695261"
                           z3="8.98445"
                           zFract="0.40434068"/>
                     <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="0.0445"
                           xFract="0.00527251"
                           y3="6.3645"
                           yFract="0.75408768"
                           z3="6.16368"
                           zFract="0.27739334"/>
                     <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="2.10675"
                           xFract="0.24961493"
                           y3="4.26325"
                           yFract="0.50512441"
                           z3="6.25763"
                           zFract="0.28162151"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00701"
                           xFract="0.00083057"
                           y3="3.99737"
                           yFract="0.47362204"
                           z3="4.23941"
                           zFract="0.19079253"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00779"
                           xFract="0.00092299"
                           y3="4.13004"
                           yFract="0.48934123"
                           z3="8.50925"
                           zFract="0.38295455"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0480"
                           xFract="0.24265403"
                           y3="6.50974"
                           yFract="0.77129621"
                           z3="4.16937"
                           zFract="0.18764041"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07084"
                           xFract="0.24536019"
                           y3="6.35716"
                           yFract="0.75321801"
                           z3="8.41491"
                           zFract="0.37870882"/>
                     <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="4.19698"
                           xFract="0.49727251"
                           y3="6.32619"
                           yFract="0.74954858"
                           z3="6.2530"
                           zFract="0.28141314"/>
                     <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="6.3353"
                           xFract="0.75062796"
                           y3="4.06807"
                           yFract="0.48199882"
                           z3="6.43256"
                           zFract="0.28949415"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21835"
                           xFract="0.4998045"
                           y3="4.17862"
                           yFract="0.49509716"
                           z3="4.18138"
                           zFract="0.18818092"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22424"
                           xFract="0.50050237"
                           y3="4.19052"
                           yFract="0.49650711"
                           z3="8.54853"
                           zFract="0.38472232"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41571"
                           xFract="0.76015521"
                           y3="6.43645"
                           yFract="0.76261256"
                           z3="4.30984"
                           zFract="0.1939622"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38074"
                           xFract="0.75601185"
                           y3="6.34291"
                           yFract="0.75152962"
                           z3="8.48591"
                           zFract="0.38190414"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34137"
                           xFract="0.75134716"
                           y3="2.09075"
                           yFract="0.24771919"
                           z3="9.96761"
                           zFract="0.44858731"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10744"
                           xFract="0.24969668"
                           y3="-0.00865"
                           yFract="-0.00102488"
                           z3="4.1385"
                           zFract="0.18625113"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01094"
                           xFract="0.00129621"
                           y3="2.09111"
                           yFract="0.24776185"
                           z3="4.19944"
                           zFract="0.1889937"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14617"
                           xFract="0.49125237"
                           y3="2.09585"
                           yFract="0.24832346"
                           z3="8.44013"
                           zFract="0.37984383"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34167"
                           xFract="0.7513827"
                           y3="0.00716"
                           yFract="0.00084834"
                           z3="4.22036"
                           zFract="0.18993519"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.02997"
                           xFract="0.00355095"
                           y3="8.42868"
                           yFract="0.99865877"
                           z3="6.3227"
                           zFract="0.28454995"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06558"
                           xFract="0.00777014"
                           y3="2.08676"
                           yFract="0.24724645"
                           z3="8.47099"
                           zFract="0.38123267"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10226"
                           xFract="0.24908294"
                           y3="6.35597"
                           yFract="0.75307701"
                           z3="6.34286"
                           zFract="0.28545725"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20452"
                           xFract="0.49816588"
                           y3="2.0885"
                           yFract="0.24745261"
                           z3="4.19978"
                           zFract="0.189009"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34898"
                           xFract="0.75224882"
                           y3="8.36764"
                           yFract="0.99142654"
                           z3="8.39312"
                           zFract="0.37772817"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33709"
                           xFract="0.75084005"
                           y3="4.30429"
                           yFract="0.50998697"
                           z3="8.44546"
                           zFract="0.38008371"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09386"
                           xFract="0.24808768"
                           y3="4.19779"
                           yFract="0.49736848"
                           z3="4.19625"
                           zFract="0.18885014"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09654"
                           xFract="0.24840521"
                           y3="8.42035"
                           yFract="0.9976718"
                           z3="8.61805"
                           zFract="0.38785104"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35902"
                           xFract="0.75343839"
                           y3="6.34352"
                           yFract="0.7516019"
                           z3="6.35997"
                           zFract="0.28622727"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21967"
                           xFract="0.4999609"
                           y3="6.34333"
                           yFract="0.75157938"
                           z3="8.62389"
                           zFract="0.38811386"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35417"
                           xFract="0.75286374"
                           y3="4.24569"
                           yFract="0.50304384"
                           z3="4.21675"
                           zFract="0.18977273"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01939"
                           xFract="0.00229739"
                           y3="6.35288"
                           yFract="0.7527109"
                           z3="8.56408"
                           zFract="0.38542214"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01126"
                           xFract="0.00133412"
                           y3="6.31389"
                           yFract="0.74809123"
                           z3="4.16816"
                           zFract="0.18758596"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18938"
                           xFract="0.49637204"
                           y3="8.38699"
                           yFract="0.99371919"
                           z3="6.38826"
                           zFract="0.28750045"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2214"
                           xFract="0.50016588"
                           y3="4.25955"
                           yFract="0.50468602"
                           z3="6.37604"
                           zFract="0.2869505"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10126"
                           xFract="0.24896445"
                           y3="2.08701"
                           yFract="0.24727607"
                           z3="6.37112"
                           zFract="0.28672907"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00428"
                           xFract="0.00050711"
                           y3="4.26753"
                           yFract="0.50563152"
                           z3="6.37671"
                           zFract="0.28698065"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36105"
                           xFract="0.75367891"
                           y3="2.1151"
                           yFract="0.25060427"
                           z3="6.16922"
                           zFract="0.27764266"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24398"
                           xFract="0.50284123"
                           y3="6.31205"
                           yFract="0.74787322"
                           z3="4.22326"
                           zFract="0.19006571"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11403"
                           xFract="0.25047749"
                           y3="4.25268"
                           yFract="0.50387204"
                           z3="8.49721"
                           zFract="0.38241269"/>
                     <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="0.0532"
                           xFract="0.00630332"
                           y3="2.06849"
                           yFract="0.24508175"
                           z3="6.2827"
                           zFract="0.28274977"/>
                     <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="2.06996"
                           xFract="0.24525592"
                           y3="8.39469"
                           yFract="0.99463152"
                           z3="6.04226"
                           zFract="0.27192889"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35114"
                           xFract="0.98947156"
                           y3="0.17386"
                           yFract="0.02059953"
                           z3="4.18894"
                           zFract="0.18852115"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03509"
                           xFract="0.00415758"
                           y3="0.07662"
                           yFract="0.0090782"
                           z3="8.41717"
                           zFract="0.37881053"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12254"
                           xFract="0.25148578"
                           y3="1.91124"
                           yFract="0.22645024"
                           z3="4.1299"
                           zFract="0.18586409"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12011"
                           xFract="0.25119787"
                           y3="2.09992"
                           yFract="0.24880569"
                           z3="8.51713"
                           zFract="0.38330918"/>
                     <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="4.17774"
                           xFract="0.49499289"
                           y3="2.10211"
                           yFract="0.24906517"
                           z3="6.34847"
                           zFract="0.28570972"/>
                     <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="6.36112"
                           xFract="0.7536872"
                           y3="0.15501"
                           yFract="0.01836611"
                           z3="6.38771"
                           zFract="0.2874757"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31346"
                           xFract="0.51107346"
                           y3="0.00598"
                           yFract="0.00070853"
                           z3="4.22706"
                           zFract="0.19023672"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.2142"
                           xFract="0.4993128"
                           y3="0.0287"
                           yFract="0.00340047"
                           z3="8.50515"
                           zFract="0.38277003"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29165"
                           xFract="0.74545616"
                           y3="1.99832"
                           yFract="0.23676777"
                           z3="4.12557"
                           zFract="0.18566922"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34041"
                           xFract="0.75123341"
                           y3="2.08341"
                           yFract="0.24684953"
                           z3="8.99043"
                           zFract="0.40460981"/>
                     <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="0.04514"
                           xFract="0.00534834"
                           y3="6.36508"
                           yFract="0.7541564"
                           z3="6.16566"
                           zFract="0.27748245"/>
                     <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="2.10705"
                           xFract="0.24965047"
                           y3="4.26844"
                           yFract="0.50573934"
                           z3="6.25895"
                           zFract="0.28168092"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00589"
                           xFract="0.00069787"
                           y3="3.99692"
                           yFract="0.47356872"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.00917"
                           xFract="0.00108649"
                           y3="4.1297"
                           yFract="0.48930095"
                           z3="8.51253"
                           zFract="0.38310216"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04791"
                           xFract="0.24264336"
                           y3="6.50818"
                           yFract="0.77111137"
                           z3="4.16772"
                           zFract="0.18756616"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07223"
                           xFract="0.24552488"
                           y3="6.35949"
                           yFract="0.75349408"
                           z3="8.41697"
                           zFract="0.37880153"/>
                     <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="4.19805"
                           xFract="0.49739929"
                           y3="6.32637"
                           yFract="0.74956991"
                           z3="6.25378"
                           zFract="0.28144824"/>
                     <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="6.33545"
                           xFract="0.75064573"
                           y3="4.06347"
                           yFract="0.48145379"
                           z3="6.4358"
                           zFract="0.28963996"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21927"
                           xFract="0.49991351"
                           y3="4.17793"
                           yFract="0.4950154"
                           z3="4.18223"
                           zFract="0.18821917"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22335"
                           xFract="0.50039692"
                           y3="4.18955"
                           yFract="0.49639218"
                           z3="8.55057"
                           zFract="0.38481413"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41608"
                           xFract="0.76019905"
                           y3="6.43834"
                           yFract="0.76283649"
                           z3="4.31364"
                           zFract="0.19413321"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.38009"
                           xFract="0.75593483"
                           y3="6.3425"
                           yFract="0.75148104"
                           z3="8.48493"
                           zFract="0.38186004"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a34" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.34019"
                           xFract="0.75120735"
                           y3="2.0881"
                           yFract="0.24740521"
                           z3="9.97397"
                           zFract="0.44887354"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10684"
                           xFract="0.24962559"
                           y3="-0.00932"
                           yFract="-0.00110427"
                           z3="4.13662"
                           zFract="0.18616652"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01016"
                           xFract="0.00120379"
                           y3="2.09272"
                           yFract="0.24795261"
                           z3="4.20027"
                           zFract="0.18903105"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14697"
                           xFract="0.49134716"
                           y3="2.09654"
                           yFract="0.24840521"
                           z3="8.44759"
                           zFract="0.38017957"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34143"
                           xFract="0.75135427"
                           y3="0.00311"
                           yFract="0.00036848"
                           z3="4.22411"
                           zFract="0.19010396"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03278"
                           xFract="0.00388389"
                           y3="8.42864"
                           yFract="0.99865403"
                           z3="6.32539"
                           zFract="0.28467102"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0656"
                           xFract="0.00777251"
                           y3="2.08664"
                           yFract="0.24723223"
                           z3="8.48234"
                           zFract="0.38174347"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10332"
                           xFract="0.24920853"
                           y3="6.35725"
                           yFract="0.75322867"
                           z3="6.34341"
                           zFract="0.285482"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20502"
                           xFract="0.49822512"
                           y3="2.08787"
                           yFract="0.24737796"
                           z3="4.2008"
                           zFract="0.18905491"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34871"
                           xFract="0.75221682"
                           y3="8.36607"
                           yFract="0.99124052"
                           z3="8.4038"
                           zFract="0.37820882"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33853"
                           xFract="0.75101066"
                           y3="4.30718"
                           yFract="0.51032938"
                           z3="8.4540"
                           zFract="0.38046805"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09328"
                           xFract="0.24801896"
                           y3="4.19702"
                           yFract="0.49727725"
                           z3="4.19897"
                           zFract="0.18897255"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09705"
                           xFract="0.24846564"
                           y3="8.41904"
                           yFract="0.99751659"
                           z3="8.61632"
                           zFract="0.38777318"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35974"
                           xFract="0.7535237"
                           y3="6.34546"
                           yFract="0.75183175"
                           z3="6.35931"
                           zFract="0.28619757"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21856"
                           xFract="0.49982938"
                           y3="6.34276"
                           yFract="0.75151185"
                           z3="8.61916"
                           zFract="0.38790099"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35463"
                           xFract="0.75291825"
                           y3="4.24484"
                           yFract="0.50294313"
                           z3="4.21982"
                           zFract="0.18991089"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0190"
                           xFract="0.00225118"
                           y3="6.35208"
                           yFract="0.75261611"
                           z3="8.55758"
                           zFract="0.38512961"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01125"
                           xFract="0.00133294"
                           y3="6.31456"
                           yFract="0.74817062"
                           z3="4.17059"
                           zFract="0.18769532"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19029"
                           xFract="0.49647986"
                           y3="8.38839"
                           yFract="0.99388507"
                           z3="6.38841"
                           zFract="0.2875072"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22199"
                           xFract="0.50023578"
                           y3="4.25863"
                           yFract="0.50457701"
                           z3="6.37649"
                           zFract="0.28697075"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10252"
                           xFract="0.24911374"
                           y3="2.08562"
                           yFract="0.24711137"
                           z3="6.3763"
                           zFract="0.2869622"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00532"
                           xFract="0.00063033"
                           y3="4.26565"
                           yFract="0.50540877"
                           z3="6.37707"
                           zFract="0.28699685"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36482"
                           xFract="0.75412559"
                           y3="2.11636"
                           yFract="0.25075355"
                           z3="6.18594"
                           zFract="0.27839514"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24603"
                           xFract="0.50308412"
                           y3="6.31233"
                           yFract="0.7479064"
                           z3="4.22366"
                           zFract="0.19008371"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11537"
                           xFract="0.25063626"
                           y3="4.2533"
                           yFract="0.5039455"
                           z3="8.49532"
                           zFract="0.38232763"/>
                     <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="0.05805"
                           xFract="0.00687796"
                           y3="2.0714"
                           yFract="0.24542654"
                           z3="6.28252"
                           zFract="0.28274167"/>
                     <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="2.0709"
                           xFract="0.2453673"
                           y3="8.38812"
                           yFract="0.99385308"
                           z3="6.03985"
                           zFract="0.27182043"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35093"
                           xFract="0.98944668"
                           y3="0.17388"
                           yFract="0.0206019"
                           z3="4.19063"
                           zFract="0.18859721"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03573"
                           xFract="0.00423341"
                           y3="0.07752"
                           yFract="0.00918483"
                           z3="8.41884"
                           zFract="0.37888569"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12297"
                           xFract="0.25153673"
                           y3="1.90941"
                           yFract="0.22623341"
                           z3="4.12889"
                           zFract="0.18581863"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12092"
                           xFract="0.25129384"
                           y3="2.09713"
                           yFract="0.24847512"
                           z3="8.52111"
                           zFract="0.3834883"/>
                     <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="4.17382"
                           xFract="0.49452844"
                           y3="2.10281"
                           yFract="0.2491481"
                           z3="6.3536"
                           zFract="0.28594059"/>
                     <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="6.36025"
                           xFract="0.75358412"
                           y3="0.16117"
                           yFract="0.01909597"
                           z3="6.39381"
                           zFract="0.28775023"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31397"
                           xFract="0.51113389"
                           y3="0.00735"
                           yFract="0.00087085"
                           z3="4.2279"
                           zFract="0.19027453"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21485"
                           xFract="0.49938981"
                           y3="0.02822"
                           yFract="0.0033436"
                           z3="8.50647"
                           zFract="0.38282943"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29184"
                           xFract="0.74547867"
                           y3="2.0010"
                           yFract="0.23708531"
                           z3="4.13443"
                           zFract="0.18606796"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33801"
                           xFract="0.75094905"
                           y3="2.08167"
                           yFract="0.24664336"
                           z3="9.00238"
                           zFract="0.40514761"/>
                     <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="0.0464"
                           xFract="0.00549763"
                           y3="6.36623"
                           yFract="0.75429265"
                           z3="6.16963"
                           zFract="0.27766112"/>
                     <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="2.10764"
                           xFract="0.24972038"
                           y3="4.27882"
                           yFract="0.50696919"
                           z3="6.26159"
                           zFract="0.28179973"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00366"
                           xFract="0.00043365"
                           y3="3.99603"
                           yFract="0.47346327"
                           z3="4.24093"
                           zFract="0.19086094"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01194"
                           xFract="0.00141469"
                           y3="4.12903"
                           yFract="0.48922156"
                           z3="8.51908"
                           zFract="0.38339694"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04774"
                           xFract="0.24262322"
                           y3="6.50505"
                           yFract="0.77074052"
                           z3="4.16442"
                           zFract="0.18741764"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0750"
                           xFract="0.24585308"
                           y3="6.36414"
                           yFract="0.75404502"
                           z3="8.42111"
                           zFract="0.37898785"/>
                     <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="4.20018"
                           xFract="0.49765166"
                           y3="6.32672"
                           yFract="0.74961137"
                           z3="6.25535"
                           zFract="0.2815189"/>
                     <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="6.33575"
                           xFract="0.75068128"
                           y3="4.05427"
                           yFract="0.48036374"
                           z3="6.44228"
                           zFract="0.28993159"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22111"
                           xFract="0.50013152"
                           y3="4.17653"
                           yFract="0.49484953"
                           z3="4.18393"
                           zFract="0.18829568"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22157"
                           xFract="0.50018602"
                           y3="4.18762"
                           yFract="0.49616351"
                           z3="8.55466"
                           zFract="0.3849982"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41682"
                           xFract="0.76028673"
                           y3="6.44212"
                           yFract="0.76328436"
                           z3="4.32123"
                           zFract="0.1944748"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3788"
                           xFract="0.75578199"
                           y3="6.34168"
                           yFract="0.75138389"
                           z3="8.48297"
                           zFract="0.38177183"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3406"
                           xFract="0.75125592"
                           y3="2.08904"
                           yFract="0.24751659"
                           z3="9.97172"
                           zFract="0.44877228"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10705"
                           xFract="0.24965047"
                           y3="-0.00908"
                           yFract="-0.00107583"
                           z3="4.13728"
                           zFract="0.18619622"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.01044"
                           xFract="0.00123697"
                           y3="2.09216"
                           yFract="0.24788626"
                           z3="4.19998"
                           zFract="0.189018"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14669"
                           xFract="0.49131398"
                           y3="2.09629"
                           yFract="0.24837559"
                           z3="8.44496"
                           zFract="0.38006121"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34151"
                           xFract="0.75136374"
                           y3="0.00454"
                           yFract="0.00053791"
                           z3="4.22279"
                           zFract="0.19004455"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03179"
                           xFract="0.00376659"
                           y3="8.42866"
                           yFract="0.9986564"
                           z3="6.32444"
                           zFract="0.28462826"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06559"
                           xFract="0.00777133"
                           y3="2.08669"
                           yFract="0.24723815"
                           z3="8.47833"
                           zFract="0.38156301"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10295"
                           xFract="0.24916469"
                           y3="6.3568"
                           yFract="0.75317536"
                           z3="6.34321"
                           zFract="0.285473"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20484"
                           xFract="0.49820379"
                           y3="2.08809"
                           yFract="0.24740403"
                           z3="4.20044"
                           zFract="0.1890387"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3488"
                           xFract="0.75222749"
                           y3="8.36662"
                           yFract="0.99130569"
                           z3="8.40003"
                           zFract="0.37803915"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33802"
                           xFract="0.75095024"
                           y3="4.30616"
                           yFract="0.51020853"
                           z3="8.45098"
                           zFract="0.38033213"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09348"
                           xFract="0.24804265"
                           y3="4.19729"
                           yFract="0.49730924"
                           z3="4.19801"
                           zFract="0.18892934"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09687"
                           xFract="0.24844431"
                           y3="8.4195"
                           yFract="0.99757109"
                           z3="8.61693"
                           zFract="0.38780063"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35949"
                           xFract="0.75349408"
                           y3="6.34478"
                           yFract="0.75175118"
                           z3="6.35955"
                           zFract="0.28620837"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21895"
                           xFract="0.49987559"
                           y3="6.34296"
                           yFract="0.75153555"
                           z3="8.62083"
                           zFract="0.38797615"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35447"
                           xFract="0.75289929"
                           y3="4.24514"
                           yFract="0.50297867"
                           z3="4.21874"
                           zFract="0.18986229"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01914"
                           xFract="0.00226777"
                           y3="6.35236"
                           yFract="0.75264929"
                           z3="8.55987"
                           zFract="0.38523267"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01125"
                           xFract="0.00133294"
                           y3="6.31433"
                           yFract="0.74814336"
                           z3="4.16973"
                           zFract="0.18765662"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18997"
                           xFract="0.49644194"
                           y3="8.38789"
                           yFract="0.99382583"
                           z3="6.38835"
                           zFract="0.2875045"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22178"
                           xFract="0.5002109"
                           y3="4.25895"
                           yFract="0.50461493"
                           z3="6.37633"
                           zFract="0.28696355"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10208"
                           xFract="0.24906161"
                           y3="2.08612"
                           yFract="0.24717062"
                           z3="6.37447"
                           zFract="0.28687984"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00495"
                           xFract="0.00058649"
                           y3="4.26631"
                           yFract="0.50548697"
                           z3="6.37694"
                           zFract="0.286991"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36349"
                           xFract="0.75396801"
                           y3="2.11591"
                           yFract="0.25070024"
                           z3="6.18003"
                           zFract="0.27812916"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24531"
                           xFract="0.50299882"
                           y3="6.31223"
                           yFract="0.74789455"
                           z3="4.22352"
                           zFract="0.19007741"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1149"
                           xFract="0.25058057"
                           y3="4.25308"
                           yFract="0.50391943"
                           z3="8.49599"
                           zFract="0.38235779"/>
                     <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="0.05634"
                           xFract="0.00667536"
                           y3="2.07037"
                           yFract="0.2453045"
                           z3="6.28258"
                           zFract="0.28274437"/>
                     <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="2.07057"
                           xFract="0.2453282"
                           y3="8.39044"
                           yFract="0.99412796"
                           z3="6.0407"
                           zFract="0.27185869"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3510"
                           xFract="0.98945498"
                           y3="0.17387"
                           yFract="0.02060071"
                           z3="4.19003"
                           zFract="0.18857021"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0355"
                           xFract="0.00420616"
                           y3="0.07721"
                           yFract="0.0091481"
                           z3="8.41825"
                           zFract="0.37885914"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12282"
                           xFract="0.25151896"
                           y3="1.91006"
                           yFract="0.22631043"
                           z3="4.12925"
                           zFract="0.18583483"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12063"
                           xFract="0.25125948"
                           y3="2.09811"
                           yFract="0.24859123"
                           z3="8.51971"
                           zFract="0.38342529"/>
                     <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="4.1752"
                           xFract="0.49469194"
                           y3="2.10257"
                           yFract="0.24911967"
                           z3="6.35179"
                           zFract="0.28585914"/>
                     <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="6.36056"
                           xFract="0.75362085"
                           y3="0.1590"
                           yFract="0.01883886"
                           z3="6.39166"
                           zFract="0.28765347"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31379"
                           xFract="0.51111256"
                           y3="0.00686"
                           yFract="0.0008128"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21462"
                           xFract="0.49936256"
                           y3="0.02839"
                           yFract="0.00336374"
                           z3="8.5060"
                           zFract="0.38280828"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29177"
                           xFract="0.74547038"
                           y3="2.00005"
                           yFract="0.23697275"
                           z3="4.13131"
                           zFract="0.18592754"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33886"
                           xFract="0.75104976"
                           y3="2.08229"
                           yFract="0.24671682"
                           z3="8.99816"
                           zFract="0.4049577"/>
                     <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="0.04596"
                           xFract="0.0054455"
                           y3="6.36582"
                           yFract="0.75424408"
                           z3="6.16823"
                           zFract="0.27759811"/>
                     <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="2.10743"
                           xFract="0.2496955"
                           y3="4.27516"
                           yFract="0.50653555"
                           z3="6.26066"
                           zFract="0.28175788"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00444"
                           xFract="0.00052607"
                           y3="3.99634"
                           yFract="0.4735"
                           z3="4.24057"
                           zFract="0.19084473"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01096"
                           xFract="0.00129858"
                           y3="4.12927"
                           yFract="0.48925"
                           z3="8.51677"
                           zFract="0.38329298"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.0478"
                           xFract="0.24263033"
                           y3="6.50616"
                           yFract="0.77087204"
                           z3="4.16559"
                           zFract="0.1874703"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07402"
                           xFract="0.24573697"
                           y3="6.3625"
                           yFract="0.75385071"
                           z3="8.41965"
                           zFract="0.37892214"/>
                     <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="4.19942"
                           xFract="0.49756161"
                           y3="6.3266"
                           yFract="0.74959716"
                           z3="6.2548"
                           zFract="0.28149415"/>
                     <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="6.33564"
                           xFract="0.75066825"
                           y3="4.05752"
                           yFract="0.48074882"
                           z3="6.43999"
                           zFract="0.28982853"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22046"
                           xFract="0.5000545"
                           y3="4.17702"
                           yFract="0.49490758"
                           z3="4.18333"
                           zFract="0.18826868"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2222"
                           xFract="0.50026066"
                           y3="4.1883"
                           yFract="0.49624408"
                           z3="8.55322"
                           zFract="0.38493339"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41656"
                           xFract="0.76025592"
                           y3="6.44078"
                           yFract="0.76312559"
                           z3="4.31855"
                           zFract="0.19435419"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37926"
                           xFract="0.75583649"
                           y3="6.34197"
                           yFract="0.75141825"
                           z3="8.48366"
                           zFract="0.38180288"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33998"
                           xFract="0.75118246"
                           y3="2.08805"
                           yFract="0.24739929"
                           z3="9.97716"
                           zFract="0.4490171"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10692"
                           xFract="0.24963507"
                           y3="-0.01104"
                           yFract="-0.00130806"
                           z3="4.13699"
                           zFract="0.18618317"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00931"
                           xFract="0.00110308"
                           y3="2.09134"
                           yFract="0.2477891"
                           z3="4.20053"
                           zFract="0.18904275"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14642"
                           xFract="0.49128199"
                           y3="2.09656"
                           yFract="0.24840758"
                           z3="8.44727"
                           zFract="0.38016517"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34174"
                           xFract="0.751391"
                           y3="0.00361"
                           yFract="0.00042773"
                           z3="4.22442"
                           zFract="0.19011791"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03223"
                           xFract="0.00381872"
                           y3="8.42911"
                           yFract="0.99870972"
                           z3="6.32596"
                           zFract="0.28469667"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06621"
                           xFract="0.00784479"
                           y3="2.08657"
                           yFract="0.24722393"
                           z3="8.48171"
                           zFract="0.38171512"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10332"
                           xFract="0.24920853"
                           y3="6.35759"
                           yFract="0.75326896"
                           z3="6.34302"
                           zFract="0.28546445"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20572"
                           xFract="0.49830806"
                           y3="2.08801"
                           yFract="0.24739455"
                           z3="4.20134"
                           zFract="0.18907921"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3486"
                           xFract="0.75220379"
                           y3="8.36577"
                           yFract="0.99120498"
                           z3="8.4034"
                           zFract="0.37819082"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33837"
                           xFract="0.75099171"
                           y3="4.30735"
                           yFract="0.51034953"
                           z3="8.45348"
                           zFract="0.38044464"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09348"
                           xFract="0.24804265"
                           y3="4.19743"
                           yFract="0.49732583"
                           z3="4.19918"
                           zFract="0.188982"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0970"
                           xFract="0.24845972"
                           y3="8.41885"
                           yFract="0.99749408"
                           z3="8.61708"
                           zFract="0.38780738"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35998"
                           xFract="0.75355213"
                           y3="6.34538"
                           yFract="0.75182227"
                           z3="6.35895"
                           zFract="0.28618137"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2181"
                           xFract="0.49977488"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="8.61966"
                           zFract="0.38792349"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35446"
                           xFract="0.7528981"
                           y3="4.24418"
                           yFract="0.50286493"
                           z3="4.21963"
                           zFract="0.18990234"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0192"
                           xFract="0.00227488"
                           y3="6.35236"
                           yFract="0.75264929"
                           z3="8.55781"
                           zFract="0.38513996"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01141"
                           xFract="0.0013519"
                           y3="6.31468"
                           yFract="0.74818483"
                           z3="4.17065"
                           zFract="0.18769802"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19067"
                           xFract="0.49652488"
                           y3="8.3890"
                           yFract="0.99395735"
                           z3="6.38927"
                           zFract="0.2875459"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22244"
                           xFract="0.5002891"
                           y3="4.25828"
                           yFract="0.50453555"
                           z3="6.3770"
                           zFract="0.2869937"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10228"
                           xFract="0.24908531"
                           y3="2.08569"
                           yFract="0.24711967"
                           z3="6.37653"
                           zFract="0.28697255"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00515"
                           xFract="0.00061019"
                           y3="4.26559"
                           yFract="0.50540166"
                           z3="6.3784"
                           zFract="0.28705671"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36447"
                           xFract="0.75408412"
                           y3="2.11581"
                           yFract="0.25068839"
                           z3="6.18536"
                           zFract="0.27836904"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.2458"
                           xFract="0.50305687"
                           y3="6.31225"
                           yFract="0.74789692"
                           z3="4.22361"
                           zFract="0.19008146"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11544"
                           xFract="0.25064455"
                           y3="4.2534"
                           yFract="0.50395735"
                           z3="8.49574"
                           zFract="0.38234653"/>
                     <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="0.05805"
                           xFract="0.00687796"
                           y3="2.07134"
                           yFract="0.24541943"
                           z3="6.28236"
                           zFract="0.28273447"/>
                     <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="2.07092"
                           xFract="0.24536967"
                           y3="8.38906"
                           yFract="0.99396445"
                           z3="6.04028"
                           zFract="0.27183978"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35069"
                           xFract="0.98941825"
                           y3="0.1745"
                           yFract="0.02067536"
                           z3="4.1907"
                           zFract="0.18860036"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03579"
                           xFract="0.00424052"
                           y3="0.07781"
                           yFract="0.00921919"
                           z3="8.41921"
                           zFract="0.37890234"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12338"
                           xFract="0.25158531"
                           y3="1.91014"
                           yFract="0.22631991"
                           z3="4.12971"
                           zFract="0.18585554"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1205"
                           xFract="0.25124408"
                           y3="2.09734"
                           yFract="0.2485"
                           z3="8.52113"
                           zFract="0.3834892"/>
                     <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="4.17422"
                           xFract="0.49457583"
                           y3="2.10293"
                           yFract="0.24916232"
                           z3="6.35384"
                           zFract="0.2859514"/>
                     <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="6.36081"
                           xFract="0.75365047"
                           y3="0.16146"
                           yFract="0.01913033"
                           z3="6.39379"
                           zFract="0.28774932"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31412"
                           xFract="0.51115166"
                           y3="0.00726"
                           yFract="0.00086019"
                           z3="4.22814"
                           zFract="0.19028533"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21493"
                           xFract="0.49939929"
                           y3="0.02826"
                           yFract="0.00334834"
                           z3="8.50641"
                           zFract="0.38282673"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29204"
                           xFract="0.74550237"
                           y3="2.00147"
                           yFract="0.237141"
                           z3="4.13288"
                           zFract="0.1859982"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33835"
                           xFract="0.75098934"
                           y3="2.08187"
                           yFract="0.24666706"
                           z3="8.99782"
                           zFract="0.40494239"/>
                     <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="0.04663"
                           xFract="0.00552488"
                           y3="6.36588"
                           yFract="0.75425118"
                           z3="6.16998"
                           zFract="0.27767687"/>
                     <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="2.10755"
                           xFract="0.24970972"
                           y3="4.27764"
                           yFract="0.50682938"
                           z3="6.26186"
                           zFract="0.28181188"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="3.99681"
                           yFract="0.47355569"
                           z3="4.24057"
                           zFract="0.19084473"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01188"
                           xFract="0.00140758"
                           y3="4.12856"
                           yFract="0.48916588"
                           z3="8.51896"
                           zFract="0.38339154"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04805"
                           xFract="0.24265995"
                           y3="6.50542"
                           yFract="0.77078436"
                           z3="4.16433"
                           zFract="0.18741359"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07552"
                           xFract="0.24591469"
                           y3="6.36431"
                           yFract="0.75406517"
                           z3="8.42092"
                           zFract="0.3789793"/>
                     <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="4.19948"
                           xFract="0.49756872"
                           y3="6.3264"
                           yFract="0.74957346"
                           z3="6.2553"
                           zFract="0.28151665"/>
                     <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="6.33588"
                           xFract="0.75069668"
                           y3="4.05501"
                           yFract="0.48045142"
                           z3="6.44278"
                           zFract="0.2899541"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22126"
                           xFract="0.50014929"
                           y3="4.17663"
                           yFract="0.49486137"
                           z3="4.1841"
                           zFract="0.18830333"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22155"
                           xFract="0.50018365"
                           y3="4.18749"
                           yFract="0.4961481"
                           z3="8.55471"
                           zFract="0.38500045"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41679"
                           xFract="0.76028318"
                           y3="6.44169"
                           yFract="0.76323341"
                           z3="4.32107"
                           zFract="0.1944676"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37906"
                           xFract="0.7558128"
                           y3="6.34108"
                           yFract="0.7513128"
                           z3="8.48416"
                           zFract="0.38182538"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33982"
                           xFract="0.75116351"
                           y3="2.0878"
                           yFract="0.24736967"
                           z3="9.97855"
                           zFract="0.44907966"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10689"
                           xFract="0.24963152"
                           y3="-0.01154"
                           yFract="-0.0013673"
                           z3="4.13691"
                           zFract="0.18617957"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00902"
                           xFract="0.00106872"
                           y3="2.09113"
                           yFract="0.24776422"
                           z3="4.20067"
                           zFract="0.18904905"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14636"
                           xFract="0.49127488"
                           y3="2.09662"
                           yFract="0.24841469"
                           z3="8.44785"
                           zFract="0.38019127"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3418"
                           xFract="0.7513981"
                           y3="0.00337"
                           yFract="0.00039929"
                           z3="4.22484"
                           zFract="0.19013681"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03235"
                           xFract="0.00383294"
                           y3="8.42922"
                           yFract="0.99872275"
                           z3="6.32634"
                           zFract="0.28471377"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06637"
                           xFract="0.00786374"
                           y3="2.08654"
                           yFract="0.24722038"
                           z3="8.48257"
                           zFract="0.38175383"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10342"
                           xFract="0.24922038"
                           y3="6.35779"
                           yFract="0.75329265"
                           z3="6.34297"
                           zFract="0.2854622"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20594"
                           xFract="0.49833412"
                           y3="2.0880"
                           yFract="0.24739336"
                           z3="4.20157"
                           zFract="0.18908956"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34854"
                           xFract="0.75219668"
                           y3="8.36556"
                           yFract="0.99118009"
                           z3="8.40426"
                           zFract="0.37822952"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33845"
                           xFract="0.75100118"
                           y3="4.30766"
                           yFract="0.51038626"
                           z3="8.45412"
                           zFract="0.38047345"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09348"
                           xFract="0.24804265"
                           y3="4.19746"
                           yFract="0.49732938"
                           z3="4.19948"
                           zFract="0.1889955"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09704"
                           xFract="0.24846445"
                           y3="8.41868"
                           yFract="0.99747393"
                           z3="8.61712"
                           zFract="0.38780918"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3601"
                           xFract="0.75356635"
                           y3="6.34553"
                           yFract="0.75184005"
                           z3="6.3588"
                           zFract="0.28617462"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21789"
                           xFract="0.49975"
                           y3="6.34293"
                           yFract="0.75153199"
                           z3="8.61937"
                           zFract="0.38791044"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35445"
                           xFract="0.75289692"
                           y3="4.24394"
                           yFract="0.50283649"
                           z3="4.21985"
                           zFract="0.18991224"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01921"
                           xFract="0.00227607"
                           y3="6.35236"
                           yFract="0.75264929"
                           z3="8.55729"
                           zFract="0.38511656"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01145"
                           xFract="0.00135664"
                           y3="6.31478"
                           yFract="0.74819668"
                           z3="4.17088"
                           zFract="0.18770837"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19085"
                           xFract="0.49654621"
                           y3="8.38929"
                           yFract="0.99399171"
                           z3="6.3895"
                           zFract="0.28755626"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22261"
                           xFract="0.50030924"
                           y3="4.25811"
                           yFract="0.5045154"
                           z3="6.37718"
                           zFract="0.2870018"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10234"
                           xFract="0.24909242"
                           y3="2.08558"
                           yFract="0.24710664"
                           z3="6.37705"
                           zFract="0.28699595"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0052"
                           xFract="0.00061611"
                           y3="4.2654"
                           yFract="0.50537915"
                           z3="6.37878"
                           zFract="0.28707381"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36472"
                           xFract="0.75411374"
                           y3="2.11578"
                           yFract="0.25068483"
                           z3="6.18672"
                           zFract="0.27843024"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24592"
                           xFract="0.50307109"
                           y3="6.31225"
                           yFract="0.74789692"
                           z3="4.22364"
                           zFract="0.19008281"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11558"
                           xFract="0.25066114"
                           y3="4.25349"
                           yFract="0.50396801"
                           z3="8.49568"
                           zFract="0.38234383"/>
                     <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="0.05849"
                           xFract="0.00693009"
                           y3="2.07159"
                           yFract="0.24544905"
                           z3="6.2823"
                           zFract="0.28273177"/>
                     <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="2.0710"
                           xFract="0.24537915"
                           y3="8.38871"
                           yFract="0.99392299"
                           z3="6.04017"
                           zFract="0.27183483"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35062"
                           xFract="0.98940995"
                           y3="0.17466"
                           yFract="0.02069431"
                           z3="4.19086"
                           zFract="0.18860756"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03586"
                           xFract="0.00424882"
                           y3="0.07797"
                           yFract="0.00923815"
                           z3="8.41946"
                           zFract="0.37891359"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12352"
                           xFract="0.2516019"
                           y3="1.91016"
                           yFract="0.22632227"
                           z3="4.12983"
                           zFract="0.18586094"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12046"
                           xFract="0.25123934"
                           y3="2.09715"
                           yFract="0.24847749"
                           z3="8.52149"
                           zFract="0.3835054"/>
                     <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="4.17396"
                           xFract="0.49454502"
                           y3="2.10302"
                           yFract="0.24917299"
                           z3="6.35437"
                           zFract="0.28597525"/>
                     <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="6.36088"
                           xFract="0.75365877"
                           y3="0.16209"
                           yFract="0.01920498"
                           z3="6.39433"
                           zFract="0.28777363"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.3142"
                           xFract="0.51116114"
                           y3="0.00736"
                           yFract="0.00087204"
                           z3="4.22827"
                           zFract="0.19029118"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21501"
                           xFract="0.49940877"
                           y3="0.02823"
                           yFract="0.00334479"
                           z3="8.50652"
                           zFract="0.38283168"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29211"
                           xFract="0.74551066"
                           y3="2.00183"
                           yFract="0.23718365"
                           z3="4.13329"
                           zFract="0.18601665"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33822"
                           xFract="0.75097393"
                           y3="2.08176"
                           yFract="0.24665403"
                           z3="8.99773"
                           zFract="0.40493834"/>
                     <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="0.0468"
                           xFract="0.00554502"
                           y3="6.3659"
                           yFract="0.75425355"
                           z3="6.17043"
                           zFract="0.27769712"/>
                     <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="2.10758"
                           xFract="0.24971327"
                           y3="4.27827"
                           yFract="0.50690403"
                           z3="6.26216"
                           zFract="0.28182538"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00326"
                           xFract="0.00038626"
                           y3="3.99693"
                           yFract="0.47356991"
                           z3="4.24057"
                           zFract="0.19084473"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01211"
                           xFract="0.00143483"
                           y3="4.12837"
                           yFract="0.48914336"
                           z3="8.51951"
                           zFract="0.38341629"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04811"
                           xFract="0.24266706"
                           y3="6.50523"
                           yFract="0.77076185"
                           z3="4.16401"
                           zFract="0.18739919"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07591"
                           xFract="0.2459609"
                           y3="6.36478"
                           yFract="0.75412085"
                           z3="8.42125"
                           zFract="0.37899415"/>
                     <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="4.19949"
                           xFract="0.49756991"
                           y3="6.32635"
                           yFract="0.74956754"
                           z3="6.25543"
                           zFract="0.2815225"/>
                     <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="6.33594"
                           xFract="0.75070379"
                           y3="4.05437"
                           yFract="0.48037559"
                           z3="6.44349"
                           zFract="0.28998605"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22146"
                           xFract="0.50017299"
                           y3="4.17653"
                           yFract="0.49484953"
                           z3="4.18429"
                           zFract="0.18831188"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22138"
                           xFract="0.50016351"
                           y3="4.18728"
                           yFract="0.49612322"
                           z3="8.55509"
                           zFract="0.38501755"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41685"
                           xFract="0.76029028"
                           y3="6.44192"
                           yFract="0.76326066"
                           z3="4.32171"
                           zFract="0.1944964"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37901"
                           xFract="0.75580687"
                           y3="6.34086"
                           yFract="0.75128673"
                           z3="8.48428"
                           zFract="0.38183078"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3395"
                           xFract="0.75112559"
                           y3="2.0873"
                           yFract="0.24731043"
                           z3="9.98132"
                           zFract="0.44920432"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10682"
                           xFract="0.24962322"
                           y3="-0.01253"
                           yFract="-0.0014846"
                           z3="4.13676"
                           zFract="0.18617282"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00845"
                           xFract="0.00100118"
                           y3="2.09072"
                           yFract="0.24771564"
                           z3="4.20095"
                           zFract="0.18906166"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14622"
                           xFract="0.49125829"
                           y3="2.09676"
                           yFract="0.24843128"
                           z3="8.44903"
                           zFract="0.38024437"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34192"
                           xFract="0.75141232"
                           y3="0.00289"
                           yFract="0.00034242"
                           z3="4.22567"
                           zFract="0.19017417"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03258"
                           xFract="0.00386019"
                           y3="8.42945"
                           yFract="0.99875"
                           z3="6.32712"
                           zFract="0.28474887"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06668"
                           xFract="0.00790047"
                           y3="2.08648"
                           yFract="0.24721327"
                           z3="8.4843"
                           zFract="0.38183168"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10361"
                           xFract="0.24924289"
                           y3="6.3582"
                           yFract="0.75334123"
                           z3="6.34287"
                           zFract="0.2854577"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20639"
                           xFract="0.49838744"
                           y3="2.08796"
                           yFract="0.24738863"
                           z3="4.20203"
                           zFract="0.18911026"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34844"
                           xFract="0.75218483"
                           y3="8.36512"
                           yFract="0.99112796"
                           z3="8.40598"
                           zFract="0.37830693"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33863"
                           xFract="0.75102251"
                           y3="4.30826"
                           yFract="0.51045735"
                           z3="8.4554"
                           zFract="0.38053105"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09348"
                           xFract="0.24804265"
                           y3="4.19753"
                           yFract="0.49733768"
                           z3="4.20008"
                           zFract="0.1890225"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0971"
                           xFract="0.24847156"
                           y3="8.41834"
                           yFract="0.99743365"
                           z3="8.6172"
                           zFract="0.38781278"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36035"
                           xFract="0.75359597"
                           y3="6.34584"
                           yFract="0.75187678"
                           z3="6.35849"
                           zFract="0.28616067"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21746"
                           xFract="0.49969905"
                           y3="6.34291"
                           yFract="0.75152962"
                           z3="8.61877"
                           zFract="0.38788344"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35445"
                           xFract="0.75289692"
                           y3="4.24345"
                           yFract="0.50277844"
                           z3="4.22031"
                           zFract="0.18993294"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01924"
                           xFract="0.00227962"
                           y3="6.35235"
                           yFract="0.7526481"
                           z3="8.55624"
                           zFract="0.38506931"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01152"
                           xFract="0.00136493"
                           y3="6.31496"
                           yFract="0.74821801"
                           z3="4.17134"
                           zFract="0.18772907"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19121"
                           xFract="0.49658886"
                           y3="8.38985"
                           yFract="0.99405806"
                           z3="6.38997"
                           zFract="0.28757741"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22295"
                           xFract="0.50034953"
                           y3="4.25777"
                           yFract="0.50447512"
                           z3="6.37752"
                           zFract="0.2870171"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10244"
                           xFract="0.24910427"
                           y3="2.08537"
                           yFract="0.24708175"
                           z3="6.3781"
                           zFract="0.2870432"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0053"
                           xFract="0.00062796"
                           y3="4.26503"
                           yFract="0.50533531"
                           z3="6.37952"
                           zFract="0.28710711"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36521"
                           xFract="0.7541718"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="6.18943"
                           zFract="0.27855221"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24617"
                           xFract="0.50310071"
                           y3="6.31226"
                           yFract="0.7478981"
                           z3="4.22369"
                           zFract="0.19008506"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11586"
                           xFract="0.25069431"
                           y3="4.25365"
                           yFract="0.50398697"
                           z3="8.49555"
                           zFract="0.38233798"/>
                     <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="0.05936"
                           xFract="0.00703318"
                           y3="2.07209"
                           yFract="0.24550829"
                           z3="6.28218"
                           zFract="0.28272637"/>
                     <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="2.07118"
                           xFract="0.24540047"
                           y3="8.3880"
                           yFract="0.99383886"
                           z3="6.03996"
                           zFract="0.27182538"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35046"
                           xFract="0.989391"
                           y3="0.17498"
                           yFract="0.02073223"
                           z3="4.1912"
                           zFract="0.18862286"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03601"
                           xFract="0.00426659"
                           y3="0.07828"
                           yFract="0.00927488"
                           z3="8.41995"
                           zFract="0.37893564"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12381"
                           xFract="0.25163626"
                           y3="1.9102"
                           yFract="0.22632701"
                           z3="4.13006"
                           zFract="0.18587129"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12039"
                           xFract="0.25123104"
                           y3="2.09676"
                           yFract="0.24843128"
                           z3="8.52221"
                           zFract="0.3835378"/>
                     <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="4.17346"
                           xFract="0.49448578"
                           y3="2.10321"
                           yFract="0.2491955"
                           z3="6.35541"
                           zFract="0.28602205"/>
                     <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="6.36101"
                           xFract="0.75367417"
                           y3="0.16335"
                           yFract="0.01935427"
                           z3="6.39542"
                           zFract="0.28782268"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31437"
                           xFract="0.51118128"
                           y3="0.00757"
                           yFract="0.00089692"
                           z3="4.22854"
                           zFract="0.19030333"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21517"
                           xFract="0.49942773"
                           y3="0.02817"
                           yFract="0.00333768"
                           z3="8.50673"
                           zFract="0.38284113"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29225"
                           xFract="0.74552725"
                           y3="2.00255"
                           yFract="0.23726896"
                           z3="4.13409"
                           zFract="0.18605266"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33796"
                           xFract="0.75094313"
                           y3="2.08155"
                           yFract="0.24662915"
                           z3="8.99756"
                           zFract="0.40493069"/>
                     <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="0.04714"
                           xFract="0.00558531"
                           y3="6.36593"
                           yFract="0.75425711"
                           z3="6.17132"
                           zFract="0.27773717"/>
                     <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="2.10764"
                           xFract="0.24972038"
                           y3="4.27954"
                           yFract="0.5070545"
                           z3="6.26277"
                           zFract="0.28185284"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00278"
                           xFract="0.00032938"
                           y3="3.99717"
                           yFract="0.47359834"
                           z3="4.24058"
                           zFract="0.19084518"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01257"
                           xFract="0.00148934"
                           y3="4.12801"
                           yFract="0.48910071"
                           z3="8.52063"
                           zFract="0.3834667"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04824"
                           xFract="0.24268246"
                           y3="6.50486"
                           yFract="0.77071801"
                           z3="4.16337"
                           zFract="0.18737039"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07667"
                           xFract="0.24605095"
                           y3="6.3657"
                           yFract="0.75422986"
                           z3="8.4219"
                           zFract="0.3790234"/>
                     <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="4.19952"
                           xFract="0.49757346"
                           y3="6.32626"
                           yFract="0.74955687"
                           z3="6.25568"
                           zFract="0.28153375"/>
                     <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="6.33606"
                           xFract="0.75071801"
                           y3="4.0531"
                           yFract="0.48022512"
                           z3="6.44491"
                           zFract="0.29004995"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22186"
                           xFract="0.50022038"
                           y3="4.17633"
                           yFract="0.49482583"
                           z3="4.18468"
                           zFract="0.18832943"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22105"
                           xFract="0.50012441"
                           y3="4.18687"
                           yFract="0.49607464"
                           z3="8.55585"
                           zFract="0.38505176"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41697"
                           xFract="0.7603045"
                           y3="6.44239"
                           yFract="0.76331635"
                           z3="4.32299"
                           zFract="0.19455401"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37891"
                           xFract="0.75579502"
                           y3="6.3404"
                           yFract="0.75123223"
                           z3="8.48453"
                           zFract="0.38184203"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33972"
                           xFract="0.75115166"
                           y3="2.08764"
                           yFract="0.24735071"
                           z3="9.97946"
                           zFract="0.44912061"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10687"
                           xFract="0.24962915"
                           y3="-0.01186"
                           yFract="-0.00140521"
                           z3="4.13686"
                           zFract="0.18617732"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00883"
                           xFract="0.00104621"
                           y3="2.0910"
                           yFract="0.24774882"
                           z3="4.20076"
                           zFract="0.18905311"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14631"
                           xFract="0.49126896"
                           y3="2.09667"
                           yFract="0.24842062"
                           z3="8.44824"
                           zFract="0.38020882"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34184"
                           xFract="0.75140284"
                           y3="0.00321"
                           yFract="0.00038033"
                           z3="4.22511"
                           zFract="0.19014896"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03242"
                           xFract="0.00384123"
                           y3="8.42929"
                           yFract="0.99873104"
                           z3="6.3266"
                           zFract="0.28472547"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06647"
                           xFract="0.00787559"
                           y3="2.08652"
                           yFract="0.24721801"
                           z3="8.48314"
                           zFract="0.38177948"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10348"
                           xFract="0.24922749"
                           y3="6.35792"
                           yFract="0.75330806"
                           z3="6.34293"
                           zFract="0.2854604"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20609"
                           xFract="0.4983519"
                           y3="2.08798"
                           yFract="0.247391"
                           z3="4.20172"
                           zFract="0.18909631"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34851"
                           xFract="0.75219313"
                           y3="8.36541"
                           yFract="0.99116232"
                           z3="8.40482"
                           zFract="0.37825473"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33851"
                           xFract="0.75100829"
                           y3="4.30786"
                           yFract="0.51040995"
                           z3="8.45454"
                           zFract="0.38049235"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09348"
                           xFract="0.24804265"
                           y3="4.19749"
                           yFract="0.49733294"
                           z3="4.19968"
                           zFract="0.1890045"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09706"
                           xFract="0.24846682"
                           y3="8.41857"
                           yFract="0.9974609"
                           z3="8.61715"
                           zFract="0.38781053"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36018"
                           xFract="0.75357583"
                           y3="6.34563"
                           yFract="0.7518519"
                           z3="6.3587"
                           zFract="0.28617012"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21775"
                           xFract="0.49973341"
                           y3="6.34292"
                           yFract="0.75153081"
                           z3="8.61917"
                           zFract="0.38790144"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35445"
                           xFract="0.75289692"
                           y3="4.24378"
                           yFract="0.50281754"
                           z3="4.2200"
                           zFract="0.18991899"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01922"
                           xFract="0.00227725"
                           y3="6.35236"
                           yFract="0.75264929"
                           z3="8.55694"
                           zFract="0.38510081"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01147"
                           xFract="0.001359"
                           y3="6.31484"
                           yFract="0.74820379"
                           z3="4.17103"
                           zFract="0.18771512"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19097"
                           xFract="0.49656043"
                           y3="8.38947"
                           yFract="0.99401303"
                           z3="6.38966"
                           zFract="0.28756346"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22273"
                           xFract="0.50032346"
                           y3="4.2580"
                           yFract="0.50450237"
                           z3="6.37729"
                           zFract="0.28700675"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10237"
                           xFract="0.24909597"
                           y3="2.08551"
                           yFract="0.24709834"
                           z3="6.3774"
                           zFract="0.2870117"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00524"
                           xFract="0.00062085"
                           y3="4.26528"
                           yFract="0.50536493"
                           z3="6.37902"
                           zFract="0.28708461"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36488"
                           xFract="0.7541327"
                           y3="2.11577"
                           yFract="0.25068365"
                           z3="6.18761"
                           zFract="0.2784703"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24601"
                           xFract="0.50308175"
                           y3="6.31225"
                           yFract="0.74789692"
                           z3="4.22366"
                           zFract="0.19008371"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11567"
                           xFract="0.2506718"
                           y3="4.25354"
                           yFract="0.50397393"
                           z3="8.49564"
                           zFract="0.38234203"/>
                     <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="0.05878"
                           xFract="0.00696445"
                           y3="2.07176"
                           yFract="0.24546919"
                           z3="6.28226"
                           zFract="0.28272997"/>
                     <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="2.07106"
                           xFract="0.24538626"
                           y3="8.38847"
                           yFract="0.99389455"
                           z3="6.0401"
                           zFract="0.27183168"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35056"
                           xFract="0.98940284"
                           y3="0.17477"
                           yFract="0.02070735"
                           z3="4.19098"
                           zFract="0.18861296"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03591"
                           xFract="0.00425474"
                           y3="0.07807"
                           yFract="0.00925"
                           z3="8.41962"
                           zFract="0.37892079"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12362"
                           xFract="0.25161374"
                           y3="1.91017"
                           yFract="0.22632346"
                           z3="4.12991"
                           zFract="0.18586454"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12044"
                           xFract="0.25123697"
                           y3="2.09702"
                           yFract="0.24846209"
                           z3="8.52172"
                           zFract="0.38351575"/>
                     <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="4.1738"
                           xFract="0.49452607"
                           y3="2.10308"
                           yFract="0.24918009"
                           z3="6.35471"
                           zFract="0.28599055"/>
                     <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="6.36092"
                           xFract="0.75366351"
                           y3="0.1625"
                           yFract="0.01925355"
                           z3="6.39469"
                           zFract="0.28778983"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31425"
                           xFract="0.51116706"
                           y3="0.00743"
                           yFract="0.00088033"
                           z3="4.22836"
                           zFract="0.19029523"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21506"
                           xFract="0.49941469"
                           y3="0.02821"
                           yFract="0.00334242"
                           z3="8.50659"
                           zFract="0.38283483"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29215"
                           xFract="0.7455154"
                           y3="2.00206"
                           yFract="0.2372109"
                           z3="4.13355"
                           zFract="0.18602835"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33813"
                           xFract="0.75096327"
                           y3="2.08169"
                           yFract="0.24664573"
                           z3="8.99767"
                           zFract="0.40493564"/>
                     <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="0.04691"
                           xFract="0.00555806"
                           y3="6.36591"
                           yFract="0.75425474"
                           z3="6.17072"
                           zFract="0.27771017"/>
                     <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="2.1076"
                           xFract="0.24971564"
                           y3="4.27869"
                           yFract="0.50695379"
                           z3="6.26236"
                           zFract="0.28183438"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00311"
                           xFract="0.00036848"
                           y3="3.99701"
                           yFract="0.47357938"
                           z3="4.24058"
                           zFract="0.19084518"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01226"
                           xFract="0.00145261"
                           y3="4.12826"
                           yFract="0.48913033"
                           z3="8.51988"
                           zFract="0.38343294"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04815"
                           xFract="0.2426718"
                           y3="6.50511"
                           yFract="0.77074763"
                           z3="4.1638"
                           zFract="0.18738974"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07616"
                           xFract="0.24599052"
                           y3="6.36508"
                           yFract="0.7541564"
                           z3="8.42146"
                           zFract="0.3790036"/>
                     <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="4.1995"
                           xFract="0.49757109"
                           y3="6.32632"
                           yFract="0.74956398"
                           z3="6.25551"
                           zFract="0.2815261"/>
                     <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="6.33598"
                           xFract="0.75070853"
                           y3="4.05395"
                           yFract="0.48032583"
                           z3="6.44395"
                           zFract="0.29000675"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22159"
                           xFract="0.50018839"
                           y3="4.17646"
                           yFract="0.49484123"
                           z3="4.18442"
                           zFract="0.18831773"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22127"
                           xFract="0.50015047"
                           y3="4.18715"
                           yFract="0.49610782"
                           z3="8.55534"
                           zFract="0.3850288"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41689"
                           xFract="0.76029502"
                           y3="6.44208"
                           yFract="0.76327962"
                           z3="4.32213"
                           zFract="0.1945153"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37898"
                           xFract="0.75580332"
                           y3="6.34071"
                           yFract="0.75126896"
                           z3="8.48437"
                           zFract="0.38183483"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33893"
                           xFract="0.75105806"
                           y3="2.08667"
                           yFract="0.24723578"
                           z3="9.98053"
                           zFract="0.44916877"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10697"
                           xFract="0.249641"
                           y3="-0.0141"
                           yFract="-0.00167062"
                           z3="4.13694"
                           zFract="0.18618092"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00725"
                           xFract="0.000859"
                           y3="2.08956"
                           yFract="0.2475782"
                           z3="4.20162"
                           zFract="0.18909181"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14557"
                           xFract="0.49118128"
                           y3="2.09684"
                           yFract="0.24844076"
                           z3="8.45001"
                           zFract="0.38028848"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.3423"
                           xFract="0.75145735"
                           y3="0.00365"
                           yFract="0.00043246"
                           z3="4.22677"
                           zFract="0.19022367"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03229"
                           xFract="0.00382583"
                           y3="8.43027"
                           yFract="0.99884716"
                           z3="6.32844"
                           zFract="0.28480828"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06754"
                           xFract="0.00800237"
                           y3="2.08639"
                           yFract="0.24720261"
                           z3="8.48568"
                           zFract="0.38189379"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10393"
                           xFract="0.24928081"
                           y3="6.35886"
                           yFract="0.75341943"
                           z3="6.34255"
                           zFract="0.28544329"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20747"
                           xFract="0.4985154"
                           y3="2.08802"
                           yFract="0.24739573"
                           z3="4.20308"
                           zFract="0.18915752"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34825"
                           xFract="0.75216232"
                           y3="8.36435"
                           yFract="0.99103673"
                           z3="8.40726"
                           zFract="0.37836454"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33868"
                           xFract="0.75102844"
                           y3="4.30885"
                           yFract="0.51052725"
                           z3="8.45628"
                           zFract="0.38057066"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09359"
                           xFract="0.24805569"
                           y3="4.19786"
                           yFract="0.49737678"
                           z3="4.20098"
                           zFract="0.18906301"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09716"
                           xFract="0.24847867"
                           y3="8.41794"
                           yFract="0.99738626"
                           z3="8.61811"
                           zFract="0.38785374"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36081"
                           xFract="0.75365047"
                           y3="6.34605"
                           yFract="0.75190166"
                           z3="6.35815"
                           zFract="0.28614536"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2166"
                           xFract="0.49959716"
                           y3="6.34301"
                           yFract="0.75154147"
                           z3="8.61863"
                           zFract="0.38787714"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35435"
                           xFract="0.75288507"
                           y3="4.24229"
                           yFract="0.502641"
                           z3="4.2208"
                           zFract="0.189955"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01961"
                           xFract="0.00232346"
                           y3="6.35259"
                           yFract="0.75267654"
                           z3="8.55535"
                           zFract="0.38502925"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01175"
                           xFract="0.00139218"
                           y3="6.31515"
                           yFract="0.74824052"
                           z3="4.17195"
                           zFract="0.18775653"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19199"
                           xFract="0.49668128"
                           y3="8.3909"
                           yFract="0.99418246"
                           z3="6.39123"
                           zFract="0.28763411"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22384"
                           xFract="0.50045498"
                           y3="4.25712"
                           yFract="0.5043981"
                           z3="6.37838"
                           zFract="0.28705581"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10232"
                           xFract="0.24909005"
                           y3="2.08517"
                           yFract="0.24705806"
                           z3="6.37935"
                           zFract="0.28709946"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00521"
                           xFract="0.0006173"
                           y3="4.26451"
                           yFract="0.5052737"
                           z3="6.38147"
                           zFract="0.28719487"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36544"
                           xFract="0.75419905"
                           y3="2.11519"
                           yFract="0.25061493"
                           z3="6.19156"
                           zFract="0.27864806"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24628"
                           xFract="0.50311374"
                           y3="6.31217"
                           yFract="0.74788744"
                           z3="4.22378"
                           zFract="0.19008911"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11616"
                           xFract="0.25072986"
                           y3="4.2540"
                           yFract="0.50402844"
                           z3="8.4959"
                           zFract="0.38235374"/>
                     <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="0.06045"
                           xFract="0.00716232"
                           y3="2.07247"
                           yFract="0.24555332"
                           z3="6.2818"
                           zFract="0.28270927"/>
                     <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="2.07141"
                           xFract="0.24542773"
                           y3="8.38796"
                           yFract="0.99383412"
                           z3="6.04011"
                           zFract="0.27183213"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35007"
                           xFract="0.98934479"
                           y3="0.1755"
                           yFract="0.02079384"
                           z3="4.19167"
                           zFract="0.18864401"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03616"
                           xFract="0.00428436"
                           y3="0.07886"
                           yFract="0.0093436"
                           z3="8.42093"
                           zFract="0.37897975"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12441"
                           xFract="0.25170735"
                           y3="1.91059"
                           yFract="0.22637322"
                           z3="4.13101"
                           zFract="0.18591404"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11993"
                           xFract="0.25117654"
                           y3="2.09646"
                           yFract="0.24839573"
                           z3="8.52313"
                           zFract="0.38357921"/>
                     <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="4.17313"
                           xFract="0.49444668"
                           y3="2.10349"
                           yFract="0.24922867"
                           z3="6.35678"
                           zFract="0.28608371"/>
                     <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="6.36162"
                           xFract="0.75374645"
                           y3="0.16466"
                           yFract="0.01950948"
                           z3="6.39701"
                           zFract="0.28789424"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31477"
                           xFract="0.51122867"
                           y3="0.00758"
                           yFract="0.0008981"
                           z3="4.22913"
                           zFract="0.19032988"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21547"
                           xFract="0.49946327"
                           y3="0.02818"
                           yFract="0.00333886"
                           z3="8.50704"
                           zFract="0.38285509"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29262"
                           xFract="0.74557109"
                           y3="2.00348"
                           yFract="0.23737915"
                           z3="4.13374"
                           zFract="0.1860369"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33799"
                           xFract="0.75094668"
                           y3="2.08148"
                           yFract="0.24662085"
                           z3="9.0008"
                           zFract="0.40507651"/>
                     <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="0.04767"
                           xFract="0.0056481"
                           y3="6.36567"
                           yFract="0.7542263"
                           z3="6.1726"
                           zFract="0.27779478"/>
                     <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="2.10769"
                           xFract="0.2497263"
                           y3="4.27986"
                           yFract="0.50709242"
                           z3="6.26374"
                           zFract="0.28189649"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0021"
                           xFract="0.00024882"
                           y3="3.99786"
                           yFract="0.47368009"
                           z3="4.24089"
                           zFract="0.19085914"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01307"
                           xFract="0.00154858"
                           y3="4.12719"
                           yFract="0.48900355"
                           z3="8.52184"
                           zFract="0.38352115"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04862"
                           xFract="0.24272749"
                           y3="6.50452"
                           yFract="0.77067773"
                           z3="4.16266"
                           zFract="0.18733843"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.07793"
                           xFract="0.24620024"
                           y3="6.36674"
                           yFract="0.75435308"
                           z3="8.42238"
                           zFract="0.379045"/>
                     <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="4.19903"
                           xFract="0.4975154"
                           y3="6.32597"
                           yFract="0.74952251"
                           z3="6.25584"
                           zFract="0.28154095"/>
                     <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="6.33629"
                           xFract="0.75074526"
                           y3="4.05266"
                           yFract="0.48017299"
                           z3="6.44729"
                           zFract="0.29015707"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2225"
                           xFract="0.50029621"
                           y3="4.17629"
                           yFract="0.49482109"
                           z3="4.1852"
                           zFract="0.18835284"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22064"
                           xFract="0.50007583"
                           y3="4.18636"
                           yFract="0.49601422"
                           z3="8.55685"
                           zFract="0.38509676"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41711"
                           xFract="0.76032109"
                           y3="6.44224"
                           yFract="0.76329858"
                           z3="4.32415"
                           zFract="0.19460621"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37897"
                           xFract="0.75580213"
                           y3="6.33966"
                           yFract="0.75114455"
                           z3="8.48574"
                           zFract="0.38189649"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33766"
                           xFract="0.75090758"
                           y3="2.08509"
                           yFract="0.24704858"
                           z3="9.98227"
                           zFract="0.44924707"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10713"
                           xFract="0.24965995"
                           y3="-0.01774"
                           yFract="-0.0021019"
                           z3="4.13706"
                           zFract="0.18618632"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00469"
                           xFract="0.00055569"
                           y3="2.08721"
                           yFract="0.24729976"
                           z3="4.20302"
                           zFract="0.18915482"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14435"
                           xFract="0.49103673"
                           y3="2.09711"
                           yFract="0.24847275"
                           z3="8.45288"
                           zFract="0.38041764"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34306"
                           xFract="0.75154739"
                           y3="0.00435"
                           yFract="0.0005154"
                           z3="4.22946"
                           zFract="0.19034473"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03207"
                           xFract="0.00379976"
                           y3="8.43185"
                           yFract="0.99903436"
                           z3="6.33142"
                           zFract="0.28494239"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.06928"
                           xFract="0.00820853"
                           y3="2.08617"
                           yFract="0.24717654"
                           z3="8.48981"
                           zFract="0.38207966"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10465"
                           xFract="0.24936611"
                           y3="6.36039"
                           yFract="0.75360071"
                           z3="6.34192"
                           zFract="0.28541494"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.20971"
                           xFract="0.49878081"
                           y3="2.08807"
                           yFract="0.24740166"
                           z3="4.20527"
                           zFract="0.18925608"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34783"
                           xFract="0.75211256"
                           y3="8.36263"
                           yFract="0.99083294"
                           z3="8.41121"
                           zFract="0.3785423"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33895"
                           xFract="0.75106043"
                           y3="4.31048"
                           yFract="0.51072038"
                           z3="8.4591"
                           zFract="0.38069757"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09377"
                           xFract="0.24807701"
                           y3="4.19848"
                           yFract="0.49745024"
                           z3="4.2031"
                           zFract="0.18915842"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09733"
                           xFract="0.24849882"
                           y3="8.41693"
                           yFract="0.99726659"
                           z3="8.61968"
                           zFract="0.38792439"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36181"
                           xFract="0.75376896"
                           y3="6.34673"
                           yFract="0.75198223"
                           z3="6.35727"
                           zFract="0.28610576"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21474"
                           xFract="0.49937678"
                           y3="6.34317"
                           yFract="0.75156043"
                           z3="8.61776"
                           zFract="0.38783798"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35417"
                           xFract="0.75286374"
                           y3="4.23988"
                           yFract="0.50235545"
                           z3="4.22209"
                           zFract="0.19001305"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02024"
                           xFract="0.0023981"
                           y3="6.35298"
                           yFract="0.75272275"
                           z3="8.55277"
                           zFract="0.38491314"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01221"
                           xFract="0.00144668"
                           y3="6.31565"
                           yFract="0.74829976"
                           z3="4.17344"
                           zFract="0.18782358"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19365"
                           xFract="0.49687796"
                           y3="8.39322"
                           yFract="0.99445735"
                           z3="6.39378"
                           zFract="0.28774887"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22564"
                           xFract="0.50066825"
                           y3="4.25569"
                           yFract="0.50422867"
                           z3="6.38017"
                           zFract="0.28713636"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10223"
                           xFract="0.24907938"
                           y3="2.08462"
                           yFract="0.24699289"
                           z3="6.38251"
                           zFract="0.28724167"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00517"
                           xFract="0.00061256"
                           y3="4.26326"
                           yFract="0.50512559"
                           z3="6.38544"
                           zFract="0.28737354"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36636"
                           xFract="0.75430806"
                           y3="2.11425"
                           yFract="0.25050355"
                           z3="6.19799"
                           zFract="0.27893744"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24671"
                           xFract="0.50316469"
                           y3="6.31204"
                           yFract="0.74787204"
                           z3="4.22398"
                           zFract="0.19009811"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11695"
                           xFract="0.25082346"
                           y3="4.25476"
                           yFract="0.50411848"
                           z3="8.49632"
                           zFract="0.38237264"/>
                     <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="0.06317"
                           xFract="0.0074846"
                           y3="2.07364"
                           yFract="0.24569194"
                           z3="6.28104"
                           zFract="0.28267507"/>
                     <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="2.07198"
                           xFract="0.24549526"
                           y3="8.38712"
                           yFract="0.9937346"
                           z3="6.04012"
                           zFract="0.27183258"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34927"
                           xFract="0.98925"
                           y3="0.17668"
                           yFract="0.02093365"
                           z3="4.1928"
                           zFract="0.18869487"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03658"
                           xFract="0.00433412"
                           y3="0.08014"
                           yFract="0.00949526"
                           z3="8.42307"
                           zFract="0.37907606"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12569"
                           xFract="0.251859"
                           y3="1.91128"
                           yFract="0.22645498"
                           z3="4.13279"
                           zFract="0.18599415"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1191"
                           xFract="0.2510782"
                           y3="2.09554"
                           yFract="0.24828673"
                           z3="8.52541"
                           zFract="0.38368182"/>
                     <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="4.17206"
                           xFract="0.49431991"
                           y3="2.10416"
                           yFract="0.24930806"
                           z3="6.36013"
                           zFract="0.28623447"/>
                     <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="6.36276"
                           xFract="0.75388152"
                           y3="0.16817"
                           yFract="0.01992536"
                           z3="6.40078"
                           zFract="0.28806391"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31561"
                           xFract="0.5113282"
                           y3="0.00784"
                           yFract="0.00092891"
                           z3="4.23038"
                           zFract="0.19038614"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21614"
                           xFract="0.49954265"
                           y3="0.02813"
                           yFract="0.00333294"
                           z3="8.50779"
                           zFract="0.38288884"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29339"
                           xFract="0.74566232"
                           y3="2.00578"
                           yFract="0.23765166"
                           z3="4.13406"
                           zFract="0.18605131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33775"
                           xFract="0.75091825"
                           y3="2.08113"
                           yFract="0.24657938"
                           z3="9.00589"
                           zFract="0.40530558"/>
                     <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="0.04891"
                           xFract="0.00579502"
                           y3="6.36528"
                           yFract="0.75418009"
                           z3="6.17566"
                           zFract="0.27793249"/>
                     <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="2.10783"
                           xFract="0.24974289"
                           y3="4.28177"
                           yFract="0.50731872"
                           z3="6.26597"
                           zFract="0.28199685"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00047"
                           xFract="0.00005569"
                           y3="3.99925"
                           yFract="0.47384479"
                           z3="4.24139"
                           zFract="0.19088164"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01439"
                           xFract="0.00170498"
                           y3="4.12546"
                           yFract="0.48879858"
                           z3="8.52502"
                           zFract="0.38366427"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04937"
                           xFract="0.24281635"
                           y3="6.50356"
                           yFract="0.77056398"
                           z3="4.1608"
                           zFract="0.18725473"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08082"
                           xFract="0.24654265"
                           y3="6.36943"
                           yFract="0.7546718"
                           z3="8.42386"
                           zFract="0.37911161"/>
                     <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="4.19825"
                           xFract="0.49742299"
                           y3="6.32539"
                           yFract="0.74945379"
                           z3="6.25637"
                           zFract="0.28156481"/>
                     <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="6.33679"
                           xFract="0.7508045"
                           y3="4.05055"
                           yFract="0.47992299"
                           z3="6.45272"
                           zFract="0.29040144"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22397"
                           xFract="0.50047038"
                           y3="4.17601"
                           yFract="0.49478791"
                           z3="4.18647"
                           zFract="0.18840999"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21962"
                           xFract="0.49995498"
                           y3="4.18509"
                           yFract="0.49586374"
                           z3="8.5593"
                           zFract="0.38520702"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41747"
                           xFract="0.76036374"
                           y3="6.44251"
                           yFract="0.76333057"
                           z3="4.32744"
                           zFract="0.19475428"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37896"
                           xFract="0.75580095"
                           y3="6.33796"
                           yFract="0.75094313"
                           z3="8.48798"
                           zFract="0.3819973"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33674"
                           xFract="0.75079858"
                           y3="2.08427"
                           yFract="0.24695142"
                           z3="9.98484"
                           zFract="0.44936274"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10786"
                           xFract="0.24974645"
                           y3="-0.01668"
                           yFract="-0.0019763"
                           z3="4.13761"
                           zFract="0.18621107"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00383"
                           xFract="0.00045379"
                           y3="2.08806"
                           yFract="0.24740047"
                           z3="4.20391"
                           zFract="0.18919487"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1436"
                           xFract="0.49094787"
                           y3="2.09715"
                           yFract="0.24847749"
                           z3="8.45426"
                           zFract="0.38047975"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34329"
                           xFract="0.75157464"
                           y3="0.00628"
                           yFract="0.00074408"
                           z3="4.23043"
                           zFract="0.19038839"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0319"
                           xFract="0.00377962"
                           y3="8.43298"
                           yFract="0.99916825"
                           z3="6.33338"
                           zFract="0.2850306"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07022"
                           xFract="0.00831991"
                           y3="2.08615"
                           yFract="0.24717417"
                           z3="8.49159"
                           zFract="0.38215977"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10532"
                           xFract="0.2494455"
                           y3="6.36091"
                           yFract="0.75366232"
                           z3="6.34189"
                           zFract="0.28541359"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21085"
                           xFract="0.49891588"
                           y3="2.08816"
                           yFract="0.24741232"
                           z3="4.20671"
                           zFract="0.18932088"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34763"
                           xFract="0.75208886"
                           y3="8.36156"
                           yFract="0.99070616"
                           z3="8.41251"
                           zFract="0.37860081"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33885"
                           xFract="0.75104858"
                           y3="4.3105"
                           yFract="0.51072275"
                           z3="8.46063"
                           zFract="0.38076643"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0938"
                           xFract="0.24808057"
                           y3="4.19868"
                           yFract="0.49747393"
                           z3="4.20431"
                           zFract="0.18921287"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.0973"
                           xFract="0.24849526"
                           y3="8.41663"
                           yFract="0.99723104"
                           z3="8.62153"
                           zFract="0.38800765"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36227"
                           xFract="0.75382346"
                           y3="6.34672"
                           yFract="0.75198104"
                           z3="6.35757"
                           zFract="0.28611926"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2137"
                           xFract="0.49925355"
                           y3="6.34322"
                           yFract="0.75156635"
                           z3="8.61806"
                           zFract="0.38785149"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35413"
                           xFract="0.752859"
                           y3="4.23824"
                           yFract="0.50216114"
                           z3="4.22289"
                           zFract="0.19004905"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02117"
                           xFract="0.00250829"
                           y3="6.3534"
                           yFract="0.75277251"
                           z3="8.55207"
                           zFract="0.38488164"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01244"
                           xFract="0.00147393"
                           y3="6.31562"
                           yFract="0.74829621"
                           z3="4.17435"
                           zFract="0.18786454"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1947"
                           xFract="0.49700237"
                           y3="8.3942"
                           yFract="0.99457346"
                           z3="6.39547"
                           zFract="0.28782493"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2270"
                           xFract="0.50082938"
                           y3="4.25508"
                           yFract="0.5041564"
                           z3="6.38159"
                           zFract="0.28720027"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10211"
                           xFract="0.24906517"
                           y3="2.08438"
                           yFract="0.24696445"
                           z3="6.38361"
                           zFract="0.28729118"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00503"
                           xFract="0.00059597"
                           y3="4.26246"
                           yFract="0.50503081"
                           z3="6.38825"
                           zFract="0.2875"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36658"
                           xFract="0.75433412"
                           y3="2.11431"
                           yFract="0.25051066"
                           z3="6.19962"
                           zFract="0.2790108"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24702"
                           xFract="0.50320142"
                           y3="6.31188"
                           yFract="0.74785308"
                           z3="4.22435"
                           zFract="0.19011476"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11728"
                           xFract="0.25086256"
                           y3="4.25548"
                           yFract="0.50420379"
                           z3="8.49725"
                           zFract="0.38241449"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06423"
                           xFract="0.00761019"
                           y3="2.07384"
                           yFract="0.24571564"
                           z3="6.28046"
                           zFract="0.28264896"/>
                     <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="2.07219"
                           xFract="0.24552014"
                           y3="8.38717"
                           yFract="0.99374052"
                           z3="6.04062"
                           zFract="0.27185509"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34868"
                           xFract="0.98918009"
                           y3="0.17621"
                           yFract="0.02087796"
                           z3="4.19361"
                           zFract="0.18873132"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03716"
                           xFract="0.00440284"
                           y3="0.08109"
                           yFract="0.00960782"
                           z3="8.42474"
                           zFract="0.37915122"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12626"
                           xFract="0.25192654"
                           y3="1.91102"
                           yFract="0.22642417"
                           z3="4.13407"
                           zFract="0.18605176"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11853"
                           xFract="0.25101066"
                           y3="2.09472"
                           yFract="0.24818957"
                           z3="8.52698"
                           zFract="0.38375248"/>
                     <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="4.17182"
                           xFract="0.49429147"
                           y3="2.10457"
                           yFract="0.24935664"
                           z3="6.36201"
                           zFract="0.28631908"/>
                     <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="6.36386"
                           xFract="0.75401185"
                           y3="0.16887"
                           yFract="0.02000829"
                           z3="6.40379"
                           zFract="0.28819937"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31652"
                           xFract="0.51143602"
                           y3="0.00759"
                           yFract="0.00089929"
                           z3="4.23164"
                           zFract="0.19044284"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21628"
                           xFract="0.49955924"
                           y3="0.02836"
                           yFract="0.00336019"
                           z3="8.50855"
                           zFract="0.38292304"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29402"
                           xFract="0.74573697"
                           y3="2.00681"
                           yFract="0.2377737"
                           z3="4.13379"
                           zFract="0.18603915"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33804"
                           xFract="0.75095261"
                           y3="2.08095"
                           yFract="0.24655806"
                           z3="9.00643"
                           zFract="0.40532988"/>
                     <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="0.04971"
                           xFract="0.00588981"
                           y3="6.36505"
                           yFract="0.75415284"
                           z3="6.17761"
                           zFract="0.27802025"/>
                     <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="2.10799"
                           xFract="0.24976185"
                           y3="4.28162"
                           yFract="0.50730095"
                           z3="6.26758"
                           zFract="0.28206931"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="3.99948"
                           yFract="0.47387204"
                           z3="4.24225"
                           zFract="0.19092034"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01534"
                           xFract="0.00181754"
                           y3="4.12422"
                           yFract="0.48865166"
                           z3="8.52678"
                           zFract="0.38374347"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.04977"
                           xFract="0.24286374"
                           y3="6.50238"
                           yFract="0.77042417"
                           z3="4.16027"
                           zFract="0.18723087"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08236"
                           xFract="0.24672512"
                           y3="6.37091"
                           yFract="0.75484716"
                           z3="8.42417"
                           zFract="0.37912556"/>
                     <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="4.19758"
                           xFract="0.4973436"
                           y3="6.32532"
                           yFract="0.7494455"
                           z3="6.25651"
                           zFract="0.28157111"/>
                     <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="6.33723"
                           xFract="0.75085664"
                           y3="4.05044"
                           yFract="0.47990995"
                           z3="6.45671"
                           zFract="0.29058101"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22502"
                           xFract="0.50059479"
                           y3="4.1761"
                           yFract="0.49479858"
                           z3="4.18717"
                           zFract="0.18844149"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21891"
                           xFract="0.49987085"
                           y3="4.18439"
                           yFract="0.49578081"
                           z3="8.56092"
                           zFract="0.38527993"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41782"
                           xFract="0.76040521"
                           y3="6.44175"
                           yFract="0.76324052"
                           z3="4.32863"
                           zFract="0.19480783"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3790"
                           xFract="0.75580569"
                           y3="6.33755"
                           yFract="0.75089455"
                           z3="8.48974"
                           zFract="0.38207651"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a40" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33502"
                           xFract="0.75059479"
                           y3="2.08272"
                           yFract="0.24676777"
                           z3="9.98969"
                           zFract="0.44958101"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10924"
                           xFract="0.24990995"
                           y3="-0.0147"
                           yFract="-0.00174171"
                           z3="4.13864"
                           zFract="0.18625743"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0022"
                           xFract="0.00026066"
                           y3="2.08964"
                           yFract="0.24758768"
                           z3="4.20558"
                           zFract="0.18927003"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14219"
                           xFract="0.49078081"
                           y3="2.09722"
                           yFract="0.24848578"
                           z3="8.45686"
                           zFract="0.38059676"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34374"
                           xFract="0.75162796"
                           y3="0.00993"
                           yFract="0.00117654"
                           z3="4.23226"
                           zFract="0.19047075"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03158"
                           xFract="0.00374171"
                           y3="8.4351"
                           yFract="0.99941943"
                           z3="6.33705"
                           zFract="0.28519577"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07199"
                           xFract="0.00852962"
                           y3="2.08612"
                           yFract="0.24717062"
                           z3="8.49493"
                           zFract="0.38231008"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10658"
                           xFract="0.24959479"
                           y3="6.36191"
                           yFract="0.75378081"
                           z3="6.34182"
                           zFract="0.28541044"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21299"
                           xFract="0.49916943"
                           y3="2.08831"
                           yFract="0.24743009"
                           z3="4.20941"
                           zFract="0.18944239"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34724"
                           xFract="0.75204265"
                           y3="8.35955"
                           yFract="0.99046801"
                           z3="8.41494"
                           zFract="0.37871017"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33866"
                           xFract="0.75102607"
                           y3="4.31053"
                           yFract="0.5107263"
                           z3="8.46351"
                           zFract="0.38089604"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09385"
                           xFract="0.24808649"
                           y3="4.19905"
                           yFract="0.49751777"
                           z3="4.20658"
                           zFract="0.18931503"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09725"
                           xFract="0.24848934"
                           y3="8.41608"
                           yFract="0.99716588"
                           z3="8.62502"
                           zFract="0.38816472"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36312"
                           xFract="0.75392417"
                           y3="6.34668"
                           yFract="0.7519763"
                           z3="6.35814"
                           zFract="0.28614491"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21174"
                           xFract="0.49902133"
                           y3="6.34332"
                           yFract="0.7515782"
                           z3="8.61862"
                           zFract="0.38787669"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35404"
                           xFract="0.75284834"
                           y3="4.23517"
                           yFract="0.50179739"
                           z3="4.22441"
                           zFract="0.19011746"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02292"
                           xFract="0.00271564"
                           y3="6.35418"
                           yFract="0.75286493"
                           z3="8.55073"
                           zFract="0.38482133"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01288"
                           xFract="0.00152607"
                           y3="6.31555"
                           yFract="0.74828791"
                           z3="4.17607"
                           zFract="0.18794194"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19668"
                           xFract="0.49723697"
                           y3="8.39604"
                           yFract="0.99479147"
                           z3="6.39867"
                           zFract="0.28796895"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.22957"
                           xFract="0.50113389"
                           y3="4.25393"
                           yFract="0.50402014"
                           z3="6.38426"
                           zFract="0.28732043"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10188"
                           xFract="0.24903791"
                           y3="2.08393"
                           yFract="0.24691114"
                           z3="6.38568"
                           zFract="0.28738434"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00477"
                           xFract="0.00056517"
                           y3="4.26097"
                           yFract="0.50485427"
                           z3="6.39355"
                           zFract="0.28773852"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3670"
                           xFract="0.75438389"
                           y3="2.11442"
                           yFract="0.2505237"
                           z3="6.20269"
                           zFract="0.27914896"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24759"
                           xFract="0.50326896"
                           y3="6.31157"
                           yFract="0.74781635"
                           z3="4.22504"
                           zFract="0.19014581"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.1179"
                           xFract="0.25093602"
                           y3="4.25685"
                           yFract="0.50436611"
                           z3="8.4990"
                           zFract="0.38249325"/>
                     <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="0.06624"
                           xFract="0.00784834"
                           y3="2.07422"
                           yFract="0.24576066"
                           z3="6.27936"
                           zFract="0.28259946"/>
                     <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="2.07259"
                           xFract="0.24556754"
                           y3="8.38727"
                           yFract="0.99375237"
                           z3="6.04158"
                           zFract="0.27189829"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34757"
                           xFract="0.98904858"
                           y3="0.17534"
                           yFract="0.02077488"
                           z3="4.19513"
                           zFract="0.18879973"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03827"
                           xFract="0.00453436"
                           y3="0.08288"
                           yFract="0.00981991"
                           z3="8.4279"
                           zFract="0.37929343"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12735"
                           xFract="0.25205569"
                           y3="1.91053"
                           yFract="0.22636611"
                           z3="4.13649"
                           zFract="0.18616067"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11746"
                           xFract="0.25088389"
                           y3="2.09317"
                           yFract="0.24800592"
                           z3="8.52993"
                           zFract="0.38388524"/>
                     <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="4.17138"
                           xFract="0.49423934"
                           y3="2.10535"
                           yFract="0.24944905"
                           z3="6.36555"
                           zFract="0.2864784"/>
                     <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="6.36595"
                           xFract="0.75425948"
                           y3="0.17021"
                           yFract="0.02016706"
                           z3="6.40947"
                           zFract="0.288455"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31825"
                           xFract="0.511641"
                           y3="0.00712"
                           yFract="0.0008436"
                           z3="4.23401"
                           zFract="0.1905495"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21655"
                           xFract="0.49959123"
                           y3="0.02879"
                           yFract="0.00341114"
                           z3="8.5100"
                           zFract="0.3829883"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29523"
                           xFract="0.74588033"
                           y3="2.00875"
                           yFract="0.23800355"
                           z3="4.13329"
                           zFract="0.18601665"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33858"
                           xFract="0.75101659"
                           y3="2.08062"
                           yFract="0.24651896"
                           z3="9.00743"
                           zFract="0.40537489"/>
                     <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="0.05123"
                           xFract="0.00606991"
                           y3="6.36463"
                           yFract="0.75410308"
                           z3="6.18127"
                           zFract="0.27818497"/>
                     <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="2.10831"
                           xFract="0.24979976"
                           y3="4.28133"
                           yFract="0.50726659"
                           z3="6.27061"
                           zFract="0.28220567"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00277"
                           xFract="-0.0003282"
                           y3="3.99991"
                           yFract="0.47392299"
                           z3="4.24385"
                           zFract="0.19099235"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01713"
                           xFract="0.00202962"
                           y3="4.1219"
                           yFract="0.48837678"
                           z3="8.5301"
                           zFract="0.38389289"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05052"
                           xFract="0.24295261"
                           y3="6.50017"
                           yFract="0.77016232"
                           z3="4.15928"
                           zFract="0.18718632"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08525"
                           xFract="0.24706754"
                           y3="6.37369"
                           yFract="0.75517654"
                           z3="8.42475"
                           zFract="0.37915167"/>
                     <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="4.1963"
                           xFract="0.49719194"
                           y3="6.3252"
                           yFract="0.74943128"
                           z3="6.25678"
                           zFract="0.28158326"/>
                     <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="6.33805"
                           xFract="0.75095379"
                           y3="4.05023"
                           yFract="0.47988507"
                           z3="6.46424"
                           zFract="0.29091989"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22698"
                           xFract="0.50082701"
                           y3="4.17628"
                           yFract="0.49481991"
                           z3="4.18849"
                           zFract="0.1885009"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21758"
                           xFract="0.49971327"
                           y3="4.18308"
                           yFract="0.49562559"
                           z3="8.56397"
                           zFract="0.38541719"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41849"
                           xFract="0.7604846"
                           y3="6.4403"
                           yFract="0.76306872"
                           z3="4.33087"
                           zFract="0.19490864"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37909"
                           xFract="0.75581635"
                           y3="6.33678"
                           yFract="0.75080332"
                           z3="8.49305"
                           zFract="0.38222547"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33422"
                           xFract="0.7505"
                           y3="2.08205"
                           yFract="0.24668839"
                           z3="9.98916"
                           zFract="0.44955716"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10992"
                           xFract="0.24999052"
                           y3="-0.01359"
                           yFract="-0.00161019"
                           z3="4.13925"
                           zFract="0.18628488"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00224"
                           xFract="0.0002654"
                           y3="2.09066"
                           yFract="0.24770853"
                           z3="4.20624"
                           zFract="0.18929973"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14162"
                           xFract="0.49071327"
                           y3="2.09716"
                           yFract="0.24847867"
                           z3="8.45805"
                           zFract="0.38065032"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34392"
                           xFract="0.75164929"
                           y3="0.01103"
                           yFract="0.00130687"
                           z3="4.23272"
                           zFract="0.19049145"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03172"
                           xFract="0.00375829"
                           y3="8.4358"
                           yFract="0.99950237"
                           z3="6.33862"
                           zFract="0.28526643"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07253"
                           xFract="0.0085936"
                           y3="2.08614"
                           yFract="0.24717299"
                           z3="8.49641"
                           zFract="0.38237669"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10722"
                           xFract="0.24967062"
                           y3="6.3621"
                           yFract="0.75380332"
                           z3="6.34194"
                           zFract="0.28541584"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21355"
                           xFract="0.49923578"
                           y3="2.08842"
                           yFract="0.24744313"
                           z3="4.21043"
                           zFract="0.1894883"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3472"
                           xFract="0.75203791"
                           y3="8.3588"
                           yFract="0.99037915"
                           z3="8.41599"
                           zFract="0.37875743"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.3385"
                           xFract="0.75100711"
                           y3="4.31013"
                           yFract="0.51067891"
                           z3="8.46531"
                           zFract="0.38097705"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09383"
                           xFract="0.24808412"
                           y3="4.19912"
                           yFract="0.49752607"
                           z3="4.20759"
                           zFract="0.18936049"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09721"
                           xFract="0.2484846"
                           y3="8.41614"
                           yFract="0.99717299"
                           z3="8.62701"
                           zFract="0.38825428"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36337"
                           xFract="0.75395379"
                           y3="6.34648"
                           yFract="0.75195261"
                           z3="6.35889"
                           zFract="0.28617867"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21113"
                           xFract="0.49894905"
                           y3="6.34331"
                           yFract="0.75157701"
                           z3="8.6193"
                           zFract="0.38790729"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35405"
                           xFract="0.75284953"
                           y3="4.23404"
                           yFract="0.50166351"
                           z3="4.22514"
                           zFract="0.19015032"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02388"
                           xFract="0.00282938"
                           y3="6.35461"
                           yFract="0.75291588"
                           z3="8.55057"
                           zFract="0.38481413"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01305"
                           xFract="0.00154621"
                           y3="6.31545"
                           yFract="0.74827607"
                           z3="4.17697"
                           zFract="0.18798245"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19745"
                           xFract="0.4973282"
                           y3="8.39637"
                           yFract="0.99483057"
                           z3="6.39999"
                           zFract="0.28802835"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.23064"
                           xFract="0.50126066"
                           y3="4.2538"
                           yFract="0.50400474"
                           z3="6.38557"
                           zFract="0.28737939"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10191"
                           xFract="0.24904147"
                           y3="2.0838"
                           yFract="0.24689573"
                           z3="6.3863"
                           zFract="0.28741224"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00475"
                           xFract="0.0005628"
                           y3="4.26048"
                           yFract="0.50479621"
                           z3="6.39588"
                           zFract="0.28784338"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36715"
                           xFract="0.75440166"
                           y3="2.11494"
                           yFract="0.25058531"
                           z3="6.20323"
                           zFract="0.27917327"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24796"
                           xFract="0.5033128"
                           y3="6.31146"
                           yFract="0.74780332"
                           z3="4.2255"
                           zFract="0.19016652"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11811"
                           xFract="0.2509609"
                           y3="4.25754"
                           yFract="0.50444787"
                           z3="8.50009"
                           zFract="0.3825423"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.06657"
                           xFract="0.00788744"
                           y3="2.07423"
                           yFract="0.24576185"
                           z3="6.27878"
                           zFract="0.28257336"/>
                     <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="2.07273"
                           xFract="0.24558412"
                           y3="8.38758"
                           yFract="0.9937891"
                           z3="6.04225"
                           zFract="0.27192844"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34713"
                           xFract="0.98899645"
                           y3="0.17493"
                           yFract="0.0207263"
                           z3="4.19586"
                           zFract="0.18883258"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03881"
                           xFract="0.00459834"
                           y3="0.08366"
                           yFract="0.00991232"
                           z3="8.42955"
                           zFract="0.37936769"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12777"
                           xFract="0.25210545"
                           y3="1.9105"
                           yFract="0.22636256"
                           z3="4.13742"
                           zFract="0.18620252"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11712"
                           xFract="0.2508436"
                           y3="2.09233"
                           yFract="0.2479064"
                           z3="8.53142"
                           zFract="0.3839523"/>
                     <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="4.17154"
                           xFract="0.49425829"
                           y3="2.10566"
                           yFract="0.24948578"
                           z3="6.36688"
                           zFract="0.28653825"/>
                     <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="6.36696"
                           xFract="0.75437915"
                           y3="0.17029"
                           yFract="0.02017654"
                           z3="6.4120"
                           zFract="0.28856886"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.31928"
                           xFract="0.51176303"
                           y3="0.00705"
                           yFract="0.00083531"
                           z3="4.23534"
                           zFract="0.19060936"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21656"
                           xFract="0.49959242"
                           y3="0.02915"
                           yFract="0.00345379"
                           z3="8.51092"
                           zFract="0.3830297"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29566"
                           xFract="0.74593128"
                           y3="2.00964"
                           yFract="0.238109"
                           z3="4.1334"
                           zFract="0.1860216"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33893"
                           xFract="0.75105806"
                           y3="2.08048"
                           yFract="0.24650237"
                           z3="9.01042"
                           zFract="0.40550945"/>
                     <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="0.05194"
                           xFract="0.00615403"
                           y3="6.36452"
                           yFract="0.75409005"
                           z3="6.18291"
                           zFract="0.27825878"/>
                     <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="2.10853"
                           xFract="0.24982583"
                           y3="4.28075"
                           yFract="0.50719787"
                           z3="6.2721"
                           zFract="0.28227273"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0038"
                           xFract="-0.00045024"
                           y3="4.00009"
                           yFract="0.47394431"
                           z3="4.24486"
                           zFract="0.1910378"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01818"
                           xFract="0.00215403"
                           y3="4.12084"
                           yFract="0.48825118"
                           z3="8.53172"
                           zFract="0.3839658"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05075"
                           xFract="0.24297986"
                           y3="6.49953"
                           yFract="0.77008649"
                           z3="4.15932"
                           zFract="0.18718812"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08641"
                           xFract="0.24720498"
                           y3="6.37475"
                           yFract="0.75530213"
                           z3="8.4248"
                           zFract="0.37915392"/>
                     <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="4.19581"
                           xFract="0.49713389"
                           y3="6.32528"
                           yFract="0.74944076"
                           z3="6.25699"
                           zFract="0.28159271"/>
                     <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="6.33845"
                           xFract="0.75100118"
                           y3="4.0503"
                           yFract="0.47989336"
                           z3="6.46757"
                           zFract="0.29106976"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22802"
                           xFract="0.50095024"
                           y3="4.17628"
                           yFract="0.49481991"
                           z3="4.18911"
                           zFract="0.1885288"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21688"
                           xFract="0.49963033"
                           y3="4.18252"
                           yFract="0.49555924"
                           z3="8.56554"
                           zFract="0.38548785"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41886"
                           xFract="0.76052844"
                           y3="6.43958"
                           yFract="0.76298341"
                           z3="4.33156"
                           zFract="0.19493969"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37912"
                           xFract="0.75581991"
                           y3="6.33672"
                           yFract="0.75079621"
                           z3="8.49458"
                           zFract="0.38229433"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33356"
                           xFract="0.7504218"
                           y3="2.08151"
                           yFract="0.24662441"
                           z3="9.98874"
                           zFract="0.44953825"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11047"
                           xFract="0.25005569"
                           y3="-0.0127"
                           yFract="-0.00150474"
                           z3="4.13975"
                           zFract="0.18630738"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00227"
                           xFract="0.00026896"
                           y3="2.09149"
                           yFract="0.24780687"
                           z3="4.20677"
                           zFract="0.18932358"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14116"
                           xFract="0.49065877"
                           y3="2.09711"
                           yFract="0.24847275"
                           z3="8.45902"
                           zFract="0.38069397"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34406"
                           xFract="0.75166588"
                           y3="0.01191"
                           yFract="0.00141114"
                           z3="4.2331"
                           zFract="0.19050855"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.03183"
                           xFract="0.00377133"
                           y3="8.43636"
                           yFract="0.99956872"
                           z3="6.3399"
                           zFract="0.28532403"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07297"
                           xFract="0.00864573"
                           y3="2.08616"
                           yFract="0.24717536"
                           z3="8.49762"
                           zFract="0.38243114"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10773"
                           xFract="0.24973104"
                           y3="6.36226"
                           yFract="0.75382227"
                           z3="6.34204"
                           zFract="0.28542034"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2140"
                           xFract="0.4992891"
                           y3="2.08852"
                           yFract="0.24745498"
                           z3="4.21126"
                           zFract="0.18952565"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34717"
                           xFract="0.75203436"
                           y3="8.35818"
                           yFract="0.99030569"
                           z3="8.41685"
                           zFract="0.37879613"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33837"
                           xFract="0.75099171"
                           y3="4.3098"
                           yFract="0.51063981"
                           z3="8.46677"
                           zFract="0.38104275"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0938"
                           xFract="0.24808057"
                           y3="4.19917"
                           yFract="0.49753199"
                           z3="4.20841"
                           zFract="0.18939739"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09718"
                           xFract="0.24848104"
                           y3="8.41619"
                           yFract="0.99717891"
                           z3="8.62862"
                           zFract="0.38832673"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36358"
                           xFract="0.75397867"
                           y3="6.34631"
                           yFract="0.75193246"
                           z3="6.35949"
                           zFract="0.28620567"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21063"
                           xFract="0.49888981"
                           y3="6.34331"
                           yFract="0.75157701"
                           z3="8.61984"
                           zFract="0.38793159"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35406"
                           xFract="0.75285071"
                           y3="4.23313"
                           yFract="0.50155569"
                           z3="4.22573"
                           zFract="0.19017687"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02466"
                           xFract="0.0029218"
                           y3="6.35497"
                           yFract="0.75295853"
                           z3="8.55044"
                           zFract="0.38480828"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01319"
                           xFract="0.0015628"
                           y3="6.31536"
                           yFract="0.7482654"
                           z3="4.17769"
                           zFract="0.18801485"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19807"
                           xFract="0.49740166"
                           y3="8.39663"
                           yFract="0.99486137"
                           z3="6.40107"
                           zFract="0.28807696"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2315"
                           xFract="0.50136256"
                           y3="4.2537"
                           yFract="0.50399289"
                           z3="6.38662"
                           zFract="0.28742664"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10194"
                           xFract="0.24904502"
                           y3="2.0837"
                           yFract="0.24688389"
                           z3="6.3868"
                           zFract="0.28743474"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00474"
                           xFract="0.00056161"
                           y3="4.26009"
                           yFract="0.50475"
                           z3="6.39776"
                           zFract="0.28792799"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36727"
                           xFract="0.75441588"
                           y3="2.11536"
                           yFract="0.25063507"
                           z3="6.20367"
                           zFract="0.27919307"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24825"
                           xFract="0.50334716"
                           y3="6.31137"
                           yFract="0.74779265"
                           z3="4.22586"
                           zFract="0.19018272"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11828"
                           xFract="0.25098104"
                           y3="4.2581"
                           yFract="0.50451422"
                           z3="8.50097"
                           zFract="0.38258191"/>
                     <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="0.06684"
                           xFract="0.00791943"
                           y3="2.07424"
                           yFract="0.24576303"
                           z3="6.27831"
                           zFract="0.28255221"/>
                     <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="2.07285"
                           xFract="0.24559834"
                           y3="8.38783"
                           yFract="0.99381872"
                           z3="6.04279"
                           zFract="0.27195275"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34677"
                           xFract="0.98895379"
                           y3="0.1746"
                           yFract="0.0206872"
                           z3="4.19646"
                           zFract="0.18885959"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03924"
                           xFract="0.00464929"
                           y3="0.0843"
                           yFract="0.00998815"
                           z3="8.43089"
                           zFract="0.37942799"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12811"
                           xFract="0.25214573"
                           y3="1.91047"
                           yFract="0.226359"
                           z3="4.13818"
                           zFract="0.18623672"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11684"
                           xFract="0.25081043"
                           y3="2.09164"
                           yFract="0.24782464"
                           z3="8.53263"
                           zFract="0.38400675"/>
                     <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="4.17167"
                           xFract="0.4942737"
                           y3="2.1059"
                           yFract="0.24951422"
                           z3="6.36796"
                           zFract="0.28658686"/>
                     <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="6.36778"
                           xFract="0.7544763"
                           y3="0.17036"
                           yFract="0.02018483"
                           z3="6.41405"
                           zFract="0.28866112"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.32012"
                           xFract="0.51186256"
                           y3="0.0070"
                           yFract="0.00082938"
                           z3="4.23642"
                           zFract="0.19065797"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21657"
                           xFract="0.4995936"
                           y3="0.02944"
                           yFract="0.00348815"
                           z3="8.51167"
                           zFract="0.38306346"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29601"
                           xFract="0.74597275"
                           y3="2.01037"
                           yFract="0.2381955"
                           z3="4.13348"
                           zFract="0.1860252"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33921"
                           xFract="0.75109123"
                           y3="2.08038"
                           yFract="0.24649052"
                           z3="9.01283"
                           zFract="0.40561791"/>
                     <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="0.05252"
                           xFract="0.00622275"
                           y3="6.36443"
                           yFract="0.75407938"
                           z3="6.18425"
                           zFract="0.27831908"/>
                     <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="2.10871"
                           xFract="0.24984716"
                           y3="4.28027"
                           yFract="0.507141"
                           z3="6.27331"
                           zFract="0.28232718"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00463"
                           xFract="-0.00054858"
                           y3="4.00024"
                           yFract="0.47396209"
                           z3="4.24567"
                           zFract="0.19107426"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.01903"
                           xFract="0.00225474"
                           y3="4.11999"
                           yFract="0.48815047"
                           z3="8.53304"
                           zFract="0.3840252"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05093"
                           xFract="0.24300118"
                           y3="6.49901"
                           yFract="0.77002488"
                           z3="4.15935"
                           zFract="0.18718947"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08735"
                           xFract="0.24731635"
                           y3="6.37561"
                           yFract="0.75540403"
                           z3="8.42485"
                           zFract="0.37915617"/>
                     <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="4.19541"
                           xFract="0.49708649"
                           y3="6.32535"
                           yFract="0.74944905"
                           z3="6.25716"
                           zFract="0.28160036"/>
                     <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="6.33878"
                           xFract="0.75104028"
                           y3="4.05035"
                           yFract="0.47989929"
                           z3="6.47026"
                           zFract="0.29119082"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22885"
                           xFract="0.50104858"
                           y3="4.17628"
                           yFract="0.49481991"
                           z3="4.1896"
                           zFract="0.18855086"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21632"
                           xFract="0.49956398"
                           y3="4.18206"
                           yFract="0.49550474"
                           z3="8.56681"
                           zFract="0.385545"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41917"
                           xFract="0.76056517"
                           y3="6.4390"
                           yFract="0.76291469"
                           z3="4.33211"
                           zFract="0.19496445"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37914"
                           xFract="0.75582227"
                           y3="6.33667"
                           yFract="0.75079028"
                           z3="8.49582"
                           zFract="0.38235014"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.3330"
                           xFract="0.75035545"
                           y3="2.08109"
                           yFract="0.24657464"
                           z3="9.98975"
                           zFract="0.44958371"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11079"
                           xFract="0.2500936"
                           y3="-0.01252"
                           yFract="-0.00148341"
                           z3="4.14027"
                           zFract="0.18633078"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00324"
                           xFract="0.00038389"
                           y3="2.09189"
                           yFract="0.24785427"
                           z3="4.20702"
                           zFract="0.18933483"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.14089"
                           xFract="0.49062678"
                           y3="2.09697"
                           yFract="0.24845616"
                           z3="8.45986"
                           zFract="0.38073177"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34428"
                           xFract="0.75169194"
                           y3="0.01151"
                           yFract="0.00136374"
                           z3="4.23302"
                           zFract="0.19050495"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0323"
                           xFract="0.00382701"
                           y3="8.43641"
                           yFract="0.99957464"
                           z3="6.34072"
                           zFract="0.28536094"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07295"
                           xFract="0.00864336"
                           y3="2.08618"
                           yFract="0.24717773"
                           z3="8.49874"
                           zFract="0.38248155"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10815"
                           xFract="0.24978081"
                           y3="6.36209"
                           yFract="0.75380213"
                           z3="6.34224"
                           zFract="0.28542934"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2138"
                           xFract="0.4992654"
                           y3="2.08865"
                           yFract="0.24747038"
                           z3="4.2116"
                           zFract="0.18954095"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34735"
                           xFract="0.75205569"
                           y3="8.35799"
                           yFract="0.99028318"
                           z3="8.41772"
                           zFract="0.37883528"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33824"
                           xFract="0.7509763"
                           y3="4.30914"
                           yFract="0.51056161"
                           z3="8.46877"
                           zFract="0.38113276"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09372"
                           xFract="0.24807109"
                           y3="4.19914"
                           yFract="0.49752844"
                           z3="4.20905"
                           zFract="0.18942619"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09718"
                           xFract="0.24848104"
                           y3="8.41665"
                           yFract="0.99723341"
                           z3="8.6304"
                           zFract="0.38840684"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36361"
                           xFract="0.75398223"
                           y3="6.34598"
                           yFract="0.75189336"
                           z3="6.36052"
                           zFract="0.28625203"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21066"
                           xFract="0.49889336"
                           y3="6.34326"
                           yFract="0.75157109"
                           z3="8.62078"
                           zFract="0.3879739"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35414"
                           xFract="0.75286019"
                           y3="4.23282"
                           yFract="0.50151896"
                           z3="4.22623"
                           zFract="0.19019937"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02542"
                           xFract="0.00301185"
                           y3="6.35536"
                           yFract="0.75300474"
                           z3="8.55084"
                           zFract="0.38482628"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01332"
                           xFract="0.0015782"
                           y3="6.31523"
                           yFract="0.74825"
                           z3="4.17844"
                           zFract="0.1880486"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19837"
                           xFract="0.4974372"
                           y3="8.3962"
                           yFract="0.99481043"
                           z3="6.40176"
                           zFract="0.28810801"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.23196"
                           xFract="0.50141706"
                           y3="4.25413"
                           yFract="0.50404384"
                           z3="6.38757"
                           zFract="0.2874694"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10214"
                           xFract="0.24906872"
                           y3="2.08373"
                           yFract="0.24688744"
                           z3="6.38694"
                           zFract="0.28744104"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00493"
                           xFract="0.00058412"
                           y3="4.26005"
                           yFract="0.50474526"
                           z3="6.39909"
                           zFract="0.28798785"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36736"
                           xFract="0.75442654"
                           y3="2.11602"
                           yFract="0.25071327"
                           z3="6.20324"
                           zFract="0.27917372"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24864"
                           xFract="0.50339336"
                           y3="6.31135"
                           yFract="0.74779028"
                           z3="4.22625"
                           zFract="0.19020027"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11832"
                           xFract="0.25098578"
                           y3="4.25853"
                           yFract="0.50456517"
                           z3="8.5020"
                           zFract="0.38262826"/>
                     <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="0.06639"
                           xFract="0.00786611"
                           y3="2.07413"
                           yFract="0.24575"
                           z3="6.27782"
                           zFract="0.28253015"/>
                     <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="2.07299"
                           xFract="0.24561493"
                           y3="8.38835"
                           yFract="0.99388033"
                           z3="6.04351"
                           zFract="0.27198515"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34661"
                           xFract="0.98893483"
                           y3="0.17463"
                           yFract="0.02069076"
                           z3="4.19703"
                           zFract="0.18888524"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03956"
                           xFract="0.0046872"
                           y3="0.08483"
                           yFract="0.01005095"
                           z3="8.43231"
                           zFract="0.3794919"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.12833"
                           xFract="0.2521718"
                           y3="1.91092"
                           yFract="0.22641232"
                           z3="4.13854"
                           zFract="0.18625293"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11683"
                           xFract="0.25080924"
                           y3="2.09089"
                           yFract="0.24773578"
                           z3="8.53381"
                           zFract="0.38405986"/>
                     <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="4.17223"
                           xFract="0.49434005"
                           y3="2.10604"
                           yFract="0.24953081"
                           z3="6.36856"
                           zFract="0.28661386"/>
                     <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="6.36839"
                           xFract="0.75454858"
                           y3="0.17001"
                           yFract="0.02014336"
                           z3="6.41551"
                           zFract="0.28872682"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.32105"
                           xFract="0.51197275"
                           y3="0.00724"
                           yFract="0.00085782"
                           z3="4.23756"
                           zFract="0.19070927"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21648"
                           xFract="0.49958294"
                           y3="0.02987"
                           yFract="0.0035391"
                           z3="8.51263"
                           zFract="0.38310666"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29614"
                           xFract="0.74598815"
                           y3="2.01109"
                           yFract="0.23828081"
                           z3="4.13403"
                           zFract="0.18604995"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33956"
                           xFract="0.7511327"
                           y3="2.08034"
                           yFract="0.24648578"
                           z3="9.01328"
                           zFract="0.40563816"/>
                     <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="0.05307"
                           xFract="0.00628791"
                           y3="6.36448"
                           yFract="0.75408531"
                           z3="6.18537"
                           zFract="0.27836949"/>
                     <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="2.10901"
                           xFract="0.2498827"
                           y3="4.27946"
                           yFract="0.50704502"
                           z3="6.2745"
                           zFract="0.28238074"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00541"
                           xFract="-0.000641"
                           y3="4.00058"
                           yFract="0.47400237"
                           z3="4.24701"
                           zFract="0.19113456"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02004"
                           xFract="0.00237441"
                           y3="4.11933"
                           yFract="0.48807227"
                           z3="8.53443"
                           zFract="0.38408776"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05096"
                           xFract="0.24300474"
                           y3="6.49928"
                           yFract="0.77005687"
                           z3="4.15996"
                           zFract="0.18721692"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.0880"
                           xFract="0.24739336"
                           y3="6.37607"
                           yFract="0.75545853"
                           z3="8.42471"
                           zFract="0.37914986"/>
                     <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="4.19524"
                           xFract="0.49706635"
                           y3="6.32552"
                           yFract="0.74946919"
                           z3="6.25748"
                           zFract="0.28161476"/>
                     <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="6.33904"
                           xFract="0.75107109"
                           y3="4.05048"
                           yFract="0.47991469"
                           z3="6.47233"
                           zFract="0.29128398"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.22975"
                           xFract="0.50115521"
                           y3="4.17618"
                           yFract="0.49480806"
                           z3="4.19006"
                           zFract="0.18857156"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21577"
                           xFract="0.49949882"
                           y3="4.18173"
                           yFract="0.49546564"
                           z3="8.56809"
                           zFract="0.38560261"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.41952"
                           xFract="0.76060664"
                           y3="6.43856"
                           yFract="0.76286256"
                           z3="4.33229"
                           zFract="0.19497255"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37912"
                           xFract="0.75581991"
                           y3="6.33681"
                           yFract="0.75080687"
                           z3="8.49696"
                           zFract="0.38240144"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="6.33132"
                           xFract="0.7501564"
                           y3="2.07983"
                           yFract="0.24642536"
                           z3="9.99281"
                           zFract="0.44972142"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11175"
                           xFract="0.25020735"
                           y3="-0.01199"
                           yFract="-0.00142062"
                           z3="4.14184"
                           zFract="0.18640144"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.00615"
                           xFract="0.00072867"
                           y3="2.09312"
                           yFract="0.2480"
                           z3="4.20777"
                           zFract="0.18936859"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1401"
                           xFract="0.49053318"
                           y3="2.09653"
                           yFract="0.24840403"
                           z3="8.46241"
                           zFract="0.38084653"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.34493"
                           xFract="0.75176896"
                           y3="0.0103"
                           yFract="0.00122038"
                           z3="4.23279"
                           zFract="0.1904946"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="0.0337"
                           xFract="0.00399289"
                           y3="8.43656"
                           yFract="0.99959242"
                           z3="6.34319"
                           zFract="0.2854721"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.07287"
                           xFract="0.00863389"
                           y3="2.08623"
                           yFract="0.24718365"
                           z3="8.50213"
                           zFract="0.38263411"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10939"
                           xFract="0.24992773"
                           y3="6.36158"
                           yFract="0.75374171"
                           z3="6.34285"
                           zFract="0.2854568"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.21319"
                           xFract="0.49919313"
                           y3="2.08906"
                           yFract="0.24751896"
                           z3="4.21262"
                           zFract="0.18958686"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34789"
                           xFract="0.75211967"
                           y3="8.35741"
                           yFract="0.99021445"
                           z3="8.42033"
                           zFract="0.37895275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="6.33784"
                           xFract="0.75092891"
                           y3="4.30717"
                           yFract="0.5103282"
                           z3="8.47475"
                           zFract="0.38140189"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09347"
                           xFract="0.24804147"
                           y3="4.19902"
                           yFract="0.49751422"
                           z3="4.21098"
                           zFract="0.18951305"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.09718"
                           xFract="0.24848104"
                           y3="8.41802"
                           yFract="0.99739573"
                           z3="8.63572"
                           zFract="0.38864626"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.36369"
                           xFract="0.75399171"
                           y3="6.34502"
                           yFract="0.75177962"
                           z3="6.36359"
                           zFract="0.28639019"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.21073"
                           xFract="0.49890166"
                           y3="6.34312"
                           yFract="0.7515545"
                           z3="8.62359"
                           zFract="0.38810036"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="6.35436"
                           xFract="0.75288626"
                           y3="4.2319"
                           yFract="0.50140995"
                           z3="4.22772"
                           zFract="0.19026643"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02768"
                           xFract="0.00327962"
                           y3="6.35654"
                           yFract="0.75314455"
                           z3="8.55205"
                           zFract="0.38488074"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0137"
                           xFract="0.00162322"
                           y3="6.31485"
                           yFract="0.74820498"
                           z3="4.18069"
                           zFract="0.18814986"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19928"
                           xFract="0.49754502"
                           y3="8.3949"
                           yFract="0.9946564"
                           z3="6.40383"
                           zFract="0.28820117"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.23336"
                           xFract="0.50158294"
                           y3="4.25541"
                           yFract="0.5041955"
                           z3="6.39039"
                           zFract="0.28759631"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="2.10276"
                           xFract="0.24914218"
                           y3="2.08381"
                           yFract="0.24689692"
                           z3="6.38737"
                           zFract="0.2874604"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.00548"
                           xFract="0.00064929"
                           y3="4.25995"
                           yFract="0.50473341"
                           z3="6.40307"
                           zFract="0.28816697"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.36764"
                           xFract="0.75445972"
                           y3="2.11799"
                           yFract="0.25094668"
                           z3="6.20195"
                           zFract="0.27911566"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="4.24978"
                           xFract="0.50352844"
                           y3="6.3113"
                           yFract="0.74778436"
                           z3="4.22743"
                           zFract="0.19025338"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="2.11844"
                           xFract="0.2510"
                           y3="4.25982"
                           yFract="0.50471801"
                           z3="8.50511"
                           zFract="0.38276823"/>
                     <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="0.06505"
                           xFract="0.00770735"
                           y3="2.0738"
                           yFract="0.2457109"
                           z3="6.27635"
                           zFract="0.282464"/>
                     <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="2.07341"
                           xFract="0.24566469"
                           y3="8.38992"
                           yFract="0.99406635"
                           z3="6.04566"
                           zFract="0.27208191"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34613"
                           xFract="0.98887796"
                           y3="0.17471"
                           yFract="0.02070024"
                           z3="4.19872"
                           zFract="0.1889613"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04051"
                           xFract="0.00479976"
                           y3="0.08643"
                           yFract="0.01024052"
                           z3="8.43659"
                           zFract="0.37968452"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1290"
                           xFract="0.25225118"
                           y3="1.91226"
                           yFract="0.22657109"
                           z3="4.13961"
                           zFract="0.18630108"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1168"
                           xFract="0.25080569"
                           y3="2.08863"
                           yFract="0.24746801"
                           z3="8.53735"
                           zFract="0.38421917"/>
                     <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="4.17392"
                           xFract="0.49454028"
                           y3="2.10643"
                           yFract="0.24957701"
                           z3="6.37036"
                           zFract="0.28669487"/>
                     <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="6.37023"
                           xFract="0.75476659"
                           y3="0.16897"
                           yFract="0.02002014"
                           z3="6.4199"
                           zFract="0.28892439"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.32387"
                           xFract="0.51230687"
                           y3="0.00797"
                           yFract="0.00094431"
                           z3="4.24096"
                           zFract="0.19086229"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.21622"
                           xFract="0.49955213"
                           y3="0.03114"
                           yFract="0.00368957"
                           z3="8.51554"
                           zFract="0.38323762"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.29656"
                           xFract="0.74603791"
                           y3="2.01326"
                           yFract="0.23853791"
                           z3="4.13567"
                           zFract="0.18612376"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34061"
                           xFract="0.75125711"
                           y3="2.08023"
                           yFract="0.24647275"
                           z3="9.01462"
                           zFract="0.40569847"/>
                     <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="0.05472"
                           xFract="0.00648341"
                           y3="6.36465"
                           yFract="0.75410545"
                           z3="6.18874"
                           zFract="0.27852115"/>
                     <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="2.10993"
                           xFract="0.24999171"
                           y3="4.27704"
                           yFract="0.50675829"
                           z3="6.27809"
                           zFract="0.2825423"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00774"
                           xFract="-0.00091706"
                           y3="4.00159"
                           yFract="0.47412204"
                           z3="4.25103"
                           zFract="0.19131548"/>
                     <atom elementType="O"
                           id="a68"
                           x3="0.02306"
                           xFract="0.00273223"
                           y3="4.11736"
                           yFract="0.48783886"
                           z3="8.53861"
                           zFract="0.38427588"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.05107"
                           xFract="0.24301777"
                           y3="6.5001"
                           yFract="0.77015403"
                           z3="4.16181"
                           zFract="0.18730018"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.08994"
                           xFract="0.24762322"
                           y3="6.37745"
                           yFract="0.75562204"
                           z3="8.4243"
                           zFract="0.37913141"/>
                     <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="4.19473"
                           xFract="0.49700592"
                           y3="6.32603"
                           yFract="0.74952962"
                           z3="6.25843"
                           zFract="0.28165752"/>
                     <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="6.33982"
                           xFract="0.75116351"
                           y3="4.05088"
                           yFract="0.47996209"
                           z3="6.47852"
                           zFract="0.29156256"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.23243"
                           xFract="0.50147275"
                           y3="4.17588"
                           yFract="0.49477251"
                           z3="4.19143"
                           zFract="0.18863321"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21413"
                           xFract="0.4993045"
                           y3="4.18076"
                           yFract="0.49535071"
                           z3="8.57194"
                           zFract="0.38577588"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.42059"
                           xFract="0.76073341"
                           y3="6.43721"
                           yFract="0.76270261"
                           z3="4.33282"
                           zFract="0.1949964"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37906"
                           xFract="0.7558128"
                           y3="6.33722"
                           yFract="0.75085545"
                           z3="8.50038"
                           zFract="0.38255536"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a61" order="S"/>
                     <bond atomRefs2="a2 a49" order="S"/>
                     <bond atomRefs2="a2 a42" order="S"/>
                     <bond atomRefs2="a2 a46" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a50" order="S"/>
                     <bond atomRefs2="a3 a44" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a52" order="S"/>
                     <bond atomRefs2="a4 a50" order="S"/>
                     <bond atomRefs2="a4 a44" order="S"/>
                     <bond atomRefs2="a5 a67" order="S"/>
                     <bond atomRefs2="a5 a43" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a60" order="S"/>
                     <bond atomRefs2="a7 a54" order="S"/>
                     <bond atomRefs2="a8 a45" order="S"/>
                     <bond atomRefs2="a8 a63" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a76" order="S"/>
                     <bond atomRefs2="a9 a79" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a10 a51" order="S"/>
                     <bond atomRefs2="a10 a48" order="S"/>
                     <bond atomRefs2="a10 a68" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a71" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a73" order="S"/>
                     <bond atomRefs2="a12 a76" order="S"/>
                     <bond atomRefs2="a12 a72" order="S"/>
                     <bond atomRefs2="a12 a74" order="S"/>
                     <bond atomRefs2="a12 a19" order="S"/>
                     <bond atomRefs2="a12 a77" order="S"/>
                     <bond atomRefs2="a12 a52" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a12 a64" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a17" order="S"/>
                     <bond atomRefs2="a13 a69" order="S"/>
                     <bond atomRefs2="a13 a64" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a13 a66" order="S"/>
                     <bond atomRefs2="a13 a49" order="S"/>
                     <bond atomRefs2="a13 a76" order="S"/>
                     <bond atomRefs2="a13 a19" order="S"/>
                     <bond atomRefs2="a14 a53" order="S"/>
                     <bond atomRefs2="a14 a57" order="S"/>
                     <bond atomRefs2="a14 a37" order="S"/>
                     <bond atomRefs2="a14 a60" order="S"/>
                     <bond atomRefs2="a14 a77" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a50" order="S"/>
                     <bond atomRefs2="a15 a81" order="S"/>
                     <bond atomRefs2="a15 a25" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a69" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a62" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a18 a78" order="S"/>
                     <bond atomRefs2="a18 a81" order="S"/>
                     <bond atomRefs2="a18 a75" order="S"/>
                     <bond atomRefs2="a18 a61" order="S"/>
                     <bond atomRefs2="a19 a52" order="S"/>
                     <bond atomRefs2="a19 a56" order="S"/>
                     <bond atomRefs2="a19 a59" order="S"/>
                     <bond atomRefs2="a19 a76" order="S"/>
                     <bond atomRefs2="a19 a49" order="S"/>
                     <bond atomRefs2="a19 a21" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a20 a42" order="S"/>
                     <bond atomRefs2="a20 a46" order="S"/>
                     <bond atomRefs2="a20 a44" order="S"/>
                     <bond atomRefs2="a21 a49" order="S"/>
                     <bond atomRefs2="a21 a44" order="S"/>
                     <bond atomRefs2="a21 a46" order="S"/>
                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a22 a67" order="S"/>
                     <bond atomRefs2="a22 a64" order="S"/>
                     <bond atomRefs2="a22 a65" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a62" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a67" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a26 a78" order="S"/>
                     <bond atomRefs2="a26 a81" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a60" order="S"/>
                     <bond atomRefs2="a27 a59" order="S"/>
                     <bond atomRefs2="a27 a54" order="S"/>
                     <bond atomRefs2="a27 a52" order="S"/>
                     <bond atomRefs2="a27 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a74" order="S"/>
                     <bond atomRefs2="a29 a77" order="S"/>
                     <bond atomRefs2="a30 a71" order="S"/>
                     <bond atomRefs2="a31 a70" order="S"/>
                     <bond atomRefs2="a31 a62" order="S"/>
                     <bond atomRefs2="a31 a63" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a69" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a45" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a78" order="S"/>
                     <bond atomRefs2="a34 a73" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a43" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a65" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a67" order="S"/>
                     <bond atomRefs2="a36 a68" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a55" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a38 a72" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a38 a77" order="S"/>
                     <bond atomRefs2="a38 a70" order="S"/>
                     <bond atomRefs2="a39 a79" order="S"/>
                     <bond atomRefs2="a39 a74" order="S"/>
                     <bond atomRefs2="a39 a76" order="S"/>
                     <bond atomRefs2="a39 a59" order="S"/>
                     <bond atomRefs2="a40 a56" order="S"/>
                     <bond atomRefs2="a40 a52" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a57" order="S"/>
                     <bond atomRefs2="a40 a44" order="S"/>
                     <bond atomRefs2="a41 a71" order="S"/>
                     <bond atomRefs2="a41 a65" order="S"/>
                     <bond atomRefs2="a41 a51" order="S"/>
                     <bond atomRefs2="a41 a68" order="S"/>
                     <bond atomRefs2="a41 a78" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="81">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="81">0.000 0.004 -0.000 -0.005 0.001 0.015 0.001 0.000 0.008 0.012 0.000 0.001 -0.001 0.003 0.002 0.001 0.002 0.000 0.005 0.001 -0.001 0.000 -0.002 -0.005 0.004 0.006 0.004 0.000 0.001 0.003 0.004 0.016 0.002 -0.001 0.001 0.004 0.000 0.002 -0.002 -0.001 -0.001 0.006 0.005 0.004 0.009 0.005 0.006 0.009 0.007 0.010 0.013 0.001 0.006 0.003 0.009 0.004 0.001 0.004 0.001 0.005 0.008 -0.003 0.005 0.005 0.002 0.007 0.002 0.001 0.005 0.001 0.007 0.003 0.002 -0.001 -0.001 0.004 -0.001 0.001 0.003 -0.002 -0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.001 0.008 -0.004 0.003 0.006 0.014 -0.005 -0.000 0.009 0.008 -0.001 0.002 -0.001 0.005 0.003 0.001 0.002 -0.000 0.006 0.002 -0.001 -0.001 -0.001 -0.002 0.004 0.002 0.003 0.000 0.002 0.000 0.004 0.010 0.004 0.001 0.005 0.007 -0.006 0.000 -0.003 -0.000 0.001 0.088 0.126 0.045 0.109 0.047 0.032 0.140 0.094 0.117 0.128 -0.017 0.098 -0.025 0.090 0.051 -0.012 0.066 -0.023 0.016 0.038 -0.055 -0.053 0.069 0.018 0.119 -0.041 0.005 0.046 -0.021 0.087 0.044 -0.009 -0.069 -0.017 0.050 -0.056 0.021 0.020 -0.138 -0.061</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.377 1.254 -0.493 0.632 1.340 1.097 1.514 1.452 1.095 1.322 0.001 -0.001 0.002 0.001 0.000 0.001 -0.000 0.002 0.001 -0.000 -0.295 0.574 0.448 -0.355 -0.175 -0.511 -0.489 -0.359 -0.230 -0.465 0.006 0.007 0.002 0.009 0.010 -0.004 -0.000 -0.002 0.001 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="81">0.001 1.389 1.249 -0.496 0.639 1.369 1.093 1.514 1.469 1.116 1.321 0.004 -0.003 0.010 0.007 0.002 0.005 -0.000 0.012 0.004 -0.002 -0.296 0.571 0.441 -0.348 -0.167 -0.504 -0.488 -0.356 -0.228 -0.457 0.032 0.013 0.002 0.015 0.021 -0.010 0.002 -0.007 0.000 0.006 0.093 0.132 0.049 0.118 0.052 0.038 0.149 0.102 0.127 0.141 -0.016 0.104 -0.022 0.099 0.055 -0.011 0.070 -0.021 0.021 0.046 -0.059 -0.048 0.074 0.019 0.126 -0.039 0.006 0.051 -0.019 0.094 0.047 -0.007 -0.069 -0.019 0.054 -0.057 0.022 0.023 -0.140 -0.062</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.241</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">1.256</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">8.771</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">10.268</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.58781421</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.57394780</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-426.58088101</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.7892</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1812932E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="6.33132"
                        xFract="0.7501564"
                        y3="2.07983"
                        yFract="0.24642536"
                        z3="9.99281"
                        zFract="0.44972142"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.11175"
                        xFract="0.25020735"
                        y3="-0.01199"
                        yFract="-0.00142062"
                        z3="4.14184"
                        zFract="0.18640144"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.00615"
                        xFract="0.00072867"
                        y3="2.09312"
                        yFract="0.2480"
                        z3="4.20777"
                        zFract="0.18936859"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.1401"
                        xFract="0.49053318"
                        y3="2.09653"
                        yFract="0.24840403"
                        z3="8.46241"
                        zFract="0.38084653"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.34493"
                        xFract="0.75176896"
                        y3="0.0103"
                        yFract="0.00122038"
                        z3="4.23279"
                        zFract="0.1904946"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="0.0337"
                        xFract="0.00399289"
                        y3="8.43656"
                        yFract="0.99959242"
                        z3="6.34319"
                        zFract="0.2854721"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.07287"
                        xFract="0.00863389"
                        y3="2.08623"
                        yFract="0.24718365"
                        z3="8.50213"
                        zFract="0.38263411"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.10939"
                        xFract="0.24992773"
                        y3="6.36158"
                        yFract="0.75374171"
                        z3="6.34285"
                        zFract="0.2854568"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.21319"
                        xFract="0.49919313"
                        y3="2.08906"
                        yFract="0.24751896"
                        z3="4.21262"
                        zFract="0.18958686"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.34789"
                        xFract="0.75211967"
                        y3="8.35741"
                        yFract="0.99021445"
                        z3="8.42033"
                        zFract="0.37895275"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="6.33784"
                        xFract="0.75092891"
                        y3="4.30717"
                        yFract="0.5103282"
                        z3="8.47475"
                        zFract="0.38140189"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.09347"
                        xFract="0.24804147"
                        y3="4.19902"
                        yFract="0.49751422"
                        z3="4.21098"
                        zFract="0.18951305"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.09718"
                        xFract="0.24848104"
                        y3="8.41802"
                        yFract="0.99739573"
                        z3="8.63572"
                        zFract="0.38864626"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.36369"
                        xFract="0.75399171"
                        y3="6.34502"
                        yFract="0.75177962"
                        z3="6.36359"
                        zFract="0.28639019"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.21073"
                        xFract="0.49890166"
                        y3="6.34312"
                        yFract="0.7515545"
                        z3="8.62359"
                        zFract="0.38810036"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="6.35436"
                        xFract="0.75288626"
                        y3="4.2319"
                        yFract="0.50140995"
                        z3="4.22772"
                        zFract="0.19026643"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.02768"
                        xFract="0.00327962"
                        y3="6.35654"
                        yFract="0.75314455"
                        z3="8.55205"
                        zFract="0.38488074"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.0137"
                        xFract="0.00162322"
                        y3="6.31485"
                        yFract="0.74820498"
                        z3="4.18069"
                        zFract="0.18814986"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.19928"
                        xFract="0.49754502"
                        y3="8.3949"
                        yFract="0.9946564"
                        z3="6.40383"
                        zFract="0.28820117"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.23336"
                        xFract="0.50158294"
                        y3="4.25541"
                        yFract="0.5041955"
                        z3="6.39039"
                        zFract="0.28759631"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="2.10276"
                        xFract="0.24914218"
                        y3="2.08381"
                        yFract="0.24689692"
                        z3="6.38737"
                        zFract="0.2874604"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.00548"
                        xFract="0.00064929"
                        y3="4.25995"
                        yFract="0.50473341"
                        z3="6.40307"
                        zFract="0.28816697"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.36764"
                        xFract="0.75445972"
                        y3="2.11799"
                        yFract="0.25094668"
                        z3="6.20195"
                        zFract="0.27911566"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="4.24978"
                        xFract="0.50352844"
                        y3="6.3113"
                        yFract="0.74778436"
                        z3="4.22743"
                        zFract="0.19025338"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="2.11844"
                        xFract="0.2510"
                        y3="4.25982"
                        yFract="0.50471801"
                        z3="8.50511"
                        zFract="0.38276823"/>
                  <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="0.06505"
                        xFract="0.00770735"
                        y3="2.0738"
                        yFract="0.2457109"
                        z3="6.27635"
                        zFract="0.282464"/>
                  <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="2.07341"
                        xFract="0.24566469"
                        y3="8.38992"
                        yFract="0.99406635"
                        z3="6.04566"
                        zFract="0.27208191"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.34613"
                        xFract="0.98887796"
                        y3="0.17471"
                        yFract="0.02070024"
                        z3="4.19872"
                        zFract="0.1889613"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.04051"
                        xFract="0.00479976"
                        y3="0.08643"
                        yFract="0.01024052"
                        z3="8.43659"
                        zFract="0.37968452"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.1290"
                        xFract="0.25225118"
                        y3="1.91226"
                        yFract="0.22657109"
                        z3="4.13961"
                        zFract="0.18630108"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1168"
                        xFract="0.25080569"
                        y3="2.08863"
                        yFract="0.24746801"
                        z3="8.53735"
                        zFract="0.38421917"/>
                  <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="4.17392"
                        xFract="0.49454028"
                        y3="2.10643"
                        yFract="0.24957701"
                        z3="6.37036"
                        zFract="0.28669487"/>
                  <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="6.37023"
                        xFract="0.75476659"
                        y3="0.16897"
                        yFract="0.02002014"
                        z3="6.4199"
                        zFract="0.28892439"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.32387"
                        xFract="0.51230687"
                        y3="0.00797"
                        yFract="0.00094431"
                        z3="4.24096"
                        zFract="0.19086229"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.21622"
                        xFract="0.49955213"
                        y3="0.03114"
                        yFract="0.00368957"
                        z3="8.51554"
                        zFract="0.38323762"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.29656"
                        xFract="0.74603791"
                        y3="2.01326"
                        yFract="0.23853791"
                        z3="4.13567"
                        zFract="0.18612376"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.34061"
                        xFract="0.75125711"
                        y3="2.08023"
                        yFract="0.24647275"
                        z3="9.01462"
                        zFract="0.40569847"/>
                  <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="0.05472"
                        xFract="0.00648341"
                        y3="6.36465"
                        yFract="0.75410545"
                        z3="6.18874"
                        zFract="0.27852115"/>
                  <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="2.10993"
                        xFract="0.24999171"
                        y3="4.27704"
                        yFract="0.50675829"
                        z3="6.27809"
                        zFract="0.2825423"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-0.00774"
                        xFract="-0.00091706"
                        y3="4.00159"
                        yFract="0.47412204"
                        z3="4.25103"
                        zFract="0.19131548"/>
                  <atom elementType="O"
                        id="a68"
                        x3="0.02306"
                        xFract="0.00273223"
                        y3="4.11736"
                        yFract="0.48783886"
                        z3="8.53861"
                        zFract="0.38427588"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.05107"
                        xFract="0.24301777"
                        y3="6.5001"
                        yFract="0.77015403"
                        z3="4.16181"
                        zFract="0.18730018"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.08994"
                        xFract="0.24762322"
                        y3="6.37745"
                        yFract="0.75562204"
                        z3="8.4243"
                        zFract="0.37913141"/>
                  <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="4.19473"
                        xFract="0.49700592"
                        y3="6.32603"
                        yFract="0.74952962"
                        z3="6.25843"
                        zFract="0.28165752"/>
                  <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="6.33982"
                        xFract="0.75116351"
                        y3="4.05088"
                        yFract="0.47996209"
                        z3="6.47852"
                        zFract="0.29156256"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.23243"
                        xFract="0.50147275"
                        y3="4.17588"
                        yFract="0.49477251"
                        z3="4.19143"
                        zFract="0.18863321"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.21413"
                        xFract="0.4993045"
                        y3="4.18076"
                        yFract="0.49535071"
                        z3="8.57194"
                        zFract="0.38577588"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.42059"
                        xFract="0.76073341"
                        y3="6.43721"
                        yFract="0.76270261"
                        z3="4.33282"
                        zFract="0.1949964"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.37906"
                        xFract="0.7558128"
                        y3="6.33722"
                        yFract="0.75085545"
                        z3="8.50038"
                        zFract="0.38255536"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a61" order="S"/>
                  <bond atomRefs2="a2 a49" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a46" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a50" order="S"/>
                  <bond atomRefs2="a3 a44" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a52" order="S"/>
                  <bond atomRefs2="a4 a50" order="S"/>
                  <bond atomRefs2="a4 a44" order="S"/>
                  <bond atomRefs2="a5 a67" order="S"/>
                  <bond atomRefs2="a5 a43" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a50" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a7 a60" order="S"/>
                  <bond atomRefs2="a7 a54" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a76" order="S"/>
                  <bond atomRefs2="a9 a79" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a51" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a68" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a11 a71" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a73" order="S"/>
                  <bond atomRefs2="a12 a76" order="S"/>
                  <bond atomRefs2="a12 a72" order="S"/>
                  <bond atomRefs2="a12 a74" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a77" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a64" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a13 a69" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a66" order="S"/>
                  <bond atomRefs2="a13 a49" order="S"/>
                  <bond atomRefs2="a13 a76" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a57" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a60" order="S"/>
                  <bond atomRefs2="a14 a77" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a81" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a69" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a17 a72" order="S"/>
                  <bond atomRefs2="a18 a78" order="S"/>
                  <bond atomRefs2="a18 a81" order="S"/>
                  <bond atomRefs2="a18 a75" order="S"/>
                  <bond atomRefs2="a18 a61" order="S"/>
                  <bond atomRefs2="a19 a52" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a19 a59" order="S"/>
                  <bond atomRefs2="a19 a76" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a20 a46" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a21 a56" order="S"/>
                  <bond atomRefs2="a22 a67" order="S"/>
                  <bond atomRefs2="a22 a64" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a22 a77" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a23 a62" order="S"/>
                  <bond atomRefs2="a23 a64" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a67" order="S"/>
                  <bond atomRefs2="a24 a71" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a26 a78" order="S"/>
                  <bond atomRefs2="a26 a81" order="S"/>
                  <bond atomRefs2="a26 a71" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a59" order="S"/>
                  <bond atomRefs2="a27 a54" order="S"/>
                  <bond atomRefs2="a27 a52" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a28 a79" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a72" order="S"/>
                  <bond atomRefs2="a29 a74" order="S"/>
                  <bond atomRefs2="a29 a77" order="S"/>
                  <bond atomRefs2="a30 a71" order="S"/>
                  <bond atomRefs2="a31 a70" order="S"/>
                  <bond atomRefs2="a31 a62" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a32 a66" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a78" order="S"/>
                  <bond atomRefs2="a34 a73" order="S"/>
                  <bond atomRefs2="a34 a75" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a65" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a51" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a65" order="S"/>
                  <bond atomRefs2="a36 a63" order="S"/>
                  <bond atomRefs2="a36 a65" order="S"/>
                  <bond atomRefs2="a36 a67" order="S"/>
                  <bond atomRefs2="a36 a68" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a37 a55" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a38 a77" order="S"/>
                  <bond atomRefs2="a38 a70" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a39 a74" order="S"/>
                  <bond atomRefs2="a39 a76" order="S"/>
                  <bond atomRefs2="a39 a59" order="S"/>
                  <bond atomRefs2="a40 a56" order="S"/>
                  <bond atomRefs2="a40 a52" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a57" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a71" order="S"/>
                  <bond atomRefs2="a41 a65" order="S"/>
                  <bond atomRefs2="a41 a51" order="S"/>
                  <bond atomRefs2="a41 a68" order="S"/>
                  <bond atomRefs2="a41 a78" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
